Detailed information for compound 9386
Basic information
Technical information
- TDR Targets ID: 9386
- Name: (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydrox ymethyl)oxolane-3,4-diol
- MW: 267.241 | Formula: C10H13N5O4
-
H donors: 4
H acceptors: 6
LogP: -1.91
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: OCC1OC(C(C1O)O)n1cnc2c1ncnc2N
- InChi: 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)
- InChiKey: OIRDTQYFTABQOQ-UHFFFAOYSA-N
Network
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Synonyms
- 9-Beta-D-Xylofuranosyl-Adenine
- 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
- 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol
- Vidarabine
- Adenosine
- 2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
- 2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol
- 2946-52-3
- 3080-29-3
- 5536-17-4
- 3228-71-5
- 524-69-6
- 4005-33-8
- 58-61-7
- NCGC00094579-01
- NCGC00094579-02
- 9-.beta.-D-Arabinofuranosyl-9H-purin-6-amine
- 9-.beta.-Arabinosyladenine
- NSC627048
- .beta.-D-Arabinosyladenine
- .alpha.-D-Arabinofuranosyladenine
- 9-.alpha.-D-Arabinofuranosyladenine
- 9H-Purin-6-amine, 9-.alpha.-D-arabinofuranosyl-
- Adenine, 9-.alpha.-D-arabinofuranosyl-
- NSC70422
- Adenine arabinoside
- Adenine, 9.beta.-D-arabinofuranosyl-
- Arabinoside adenine
- Arabinosyladenine
- CI 673
- CI-673
- NSC 404241
- NSC247519
- Vidarabin
- Vira ATM
- Adenine-.beta.-D-arabinofuranoside
- NCIOpen2_005376
- 9-.alpha.-D-Xylofuranosyladenine
- 9H-Purin-6-amine, 9-.alpha.-D-xylofuranosyl-
- Adenine, 9-.alpha.-D-xylofuranosyl-
- NSC80832
- TULIP001309
- NCI60_037192
- .beta.-Adenosine
- .beta.-D-Adenosine
- .beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-
- .beta.-D-Ribofuranoside, adenine-9
- 6-Amino-9.beta.-D-ribofuranosyl-9H-purine
- 9.beta.-D-Ribofuranosyladenine
- 9H-Purin-6-amine, 9.beta.-D-ribofuranosyl-
- Adenine nucleoside
- Adenine riboside
- Adenosin
- Boniton
- Myocol
- NSC7652
- Nucleocardyl
- Sandesin
- Usaf cb-10
- WLN: T56 BN DN FN HNJ IZ D- BT5OTJ CQ DQ E1Q
- Adenine-9-.beta.-D-arabinofuranoside
- NSC404241
- VIRDARABINE
- 6-Amino-9-.beta.-D-arabinofuranosylpurine
- 9H-Purin-6-amine, 9-beta-D-xylofuranosyl- (9CI)
- Adenosine-8-14C
- NCGC00094579-03
- 9-.beta.-Arabinoadenosine
- 9-Arabinosyladenine
- NCIOpen2_003303
- NSC87676
- 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydro-3,4-furandiol
- 9-.beta.-D-Arabinofuranosyladenine
- 9.beta.-D-Arabinofuranosyladenine
- MLS000699527
- 9H-Purin-6-amine, 9.beta.-D-arabinofuranosyl-
- SMR000225041
- ARA-A
- ARA-A NSC 247519
- Adenine .beta.-d-arabinofuranoside
- A4676_SIGMA
- Adenine, 9-.beta.-D-arabinofuranosyl-
- 9-.beta.-D-Xylofuranosyladenine
- 9H-Purin-6-amine, 9-.beta.-D-xylofuranosyl-
- Adenine xyloside
- Adenine, 9-.beta.-D-xylofuranosyl-
- NSC 7359
- NSC7359
- XA
- Xylosyl A
- Xylosyladenine
- NCI60_003823
- Adenine, 9-beta-D-xylofuranosyl- (8CI)
- NCGC00094579-04
- adenine-D-ribose
- NSC91041
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | relaxin/insulin-like family peptide receptor 1 | Starlite/ChEMBL | No references |
| Homo sapiens | huntingtin | Starlite/ChEMBL | No references |
| Homo sapiens | mitogen-activated protein kinase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | solute carrier family 5 (sodium/choline cotransporter), member 7 | Starlite/ChEMBL | No references |
| Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
| Leishmania major | glyceraldehyde 3-phosphate dehydrogenase, glycosomal | Curated by TDR Targets | References |
| Homo sapiens | hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) | Starlite/ChEMBL | No references |
| Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
| Homo sapiens | arginine vasopressin receptor 1B | Starlite/ChEMBL | No references |
| Homo sapiens | relaxin/insulin-like family peptide receptor 2 | Starlite/ChEMBL | No references |
| Leishmania major | glyceraldehyde 3-phosphate dehydrogenase, glycosomal | Curated by TDR Targets | References |
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Homo sapiens | multiple endocrine neoplasia I | No references | |
| Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
| Homo sapiens | lysine (K)-specific methyltransferase 2A | Starlite/ChEMBL | No references |
| Homo sapiens | ATPase family, AAA domain containing 5 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Giardia lamblia | Glyceraldehyde 3-phosphate dehydrogenase | glyceraldehyde 3-phosphate dehydrogenase, glycosomal | 361 aa | 371 aa | 39.6 % |
| Giardia lamblia | Glyceraldehyde 3-phosphate dehydrogenase | glyceraldehyde 3-phosphate dehydrogenase, glycosomal | 361 aa | 371 aa | 39.6 % |
| Trypanosoma brucei | mitogen-activated protein kinase 5 | mitogen-activated protein kinase 1 | 360 aa | 361 aa | 33.2 % |
| Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
| Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| -Log EC50 (functional) | = 5.47 | Effective concentration of the compound required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the A1 adenosine receptor in langendorff guinea pig heart preparation | ChEMBL. | 2016708 |
| -Log EC50 (functional) | = 7.29 | Concentration of the compound required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation | ChEMBL. | 2016708 |
| -Log EC50 (functional) | = 5.47 M | Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation | ChEMBL. | 2016707 |
| -Log EC50 (functional) | = 7.29 M | Coronary arteries vasodilation at the adenosine A2 receptor in langendorff guinea pig heart preparation | ChEMBL. | 2016707 |
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| Activity (functional) | 0 | Effect of the compound was determined in mouse infected with herpes simplex virus type-1; observed effects seen | ChEMBL. | 7097716 |
| Activity (functional) | 0 | Effect of the compound was determined in mouse infected with vaccinia virus; observed effects seen | ChEMBL. | 7097716 |
| Activity (ADMET) | = 0.05 | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered intravenouusly in brain | ChEMBL. | 8978848 |
| Activity (ADMET) | = 1.35 | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered orally in brain | ChEMBL. | 8978848 |
| Affinity constant (functional) | = 0.01 uM | Affinity constant for inhibition of A1 receptor control of adenylate cyclase in adipocytes, heart and brain cells | ChEMBL. | 6279840 |
| Affinity constant (functional) | = 10 uM | Affinity constant for A2 receptor control of adenylate cyclase in adipocytes, heart and brain cells | ChEMBL. | 6279840 |
| Affinity constant (functional) | = 20 uM | Inhibition of adenyl cyclase via P site in adipocytes; Inactive | ChEMBL. | 6279840 |
| Anticonvulsant activity (functional) | 0 | Anticonvulsant activity | ChEMBL. | 12873507 |
| AUC (ADMET) | = 0.35 mg hr l-1 | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered intravenouusly in brain | ChEMBL. | 8978848 |
| AUC (ADMET) | = 1.15 mg hr l-1 | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered orally in serum | ChEMBL. | 8978848 |
| AUC (ADMET) | = 1.55 mg hr l-1 | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered orally in brain | ChEMBL. | 8978848 |
| AUC (ADMET) | = 3.95 mg hr l-1 | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered intravenouusly in serum | ChEMBL. | 8978848 |
| AUC (ADMET) | = 6.84 mg hr l-1 | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered intravenouusly in serum | ChEMBL. | 8978848 |
| BP (functional) | = 60 mmHg | Tested for the percent increase in aortic blood pressure (BP) in open chest anesthetized dog at intravenous dosage of 2.00 mg/kg | ChEMBL. | 7365748 |
| Cytotoxicity (functional) | = 0 | Cytotoxicity was determined at 1000 microM; toxic | ChEMBL. | 2822928 |
| Cytotoxicity (functional) | = 0 | Cytotoxicity was determined at 320 microM; sl toxic | ChEMBL. | 2822928 |
| Cytotoxicity (functional) | = 0 | Cytotoxicity was determined at 100 microM | ChEMBL. | 2822928 |
| Cytotoxicity (functional) | = 0 | Cytotoxicity was determined at 32 microM | ChEMBL. | 2822928 |
| Displacement (binding) | = 10 % | Binding affinity determined by displacement of specific binding of [125I]-N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably transfected with the rat Adenosine A3 receptor | ChEMBL. | 7707320 |
| Displacement (binding) | = 20 % | Binding affinity determined on Adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]-PIA as radioligand. | ChEMBL. | 7707320 |
| Displacement (binding) | = 24 % | Binding affinity determined by displacement of specific binding of [125I]-N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably transfected with the rat Adenosine A3 receptor | ChEMBL. | 7707320 |
| Displacement (binding) | = 25 % | Binding affinity determined on Adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand. | ChEMBL. | 7707320 |
| Displacement (binding) | = 26 % | Binding affinity determined on Adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand. | ChEMBL. | 7707320 |
| Duration (functional) | = 2 min | Total time in minutes elapsed from the initiation of the change until return to the pretest value of oxygen partial pressure in coronary sinus of anesthetized dog at intravenous dosage of 2 mg/kg | ChEMBL. | 7365748 |
| Duration (functional) | = 2 min | Total time in minutes elapsed from the initiation of the change until return to the pretest value of blood pressure in coronary sinus of anesthetized dog at intravenous dosage of 2 mg/kg | ChEMBL. | 7365748 |
| Duration (functional) | = 4 min | Total time in minutes elapsed from the initiation of the change until return to the pretest value of heart rate in coronary sinus of anesthetized dog at intravenous dosage of 2 mg/kg | ChEMBL. | 7365748 |
| EC50 (functional) | = 0.12 nM | Coronary vasoactivity in dogs | ChEMBL. | 3018244 |
| EC50 (binding) | = 40 uM | Effective concentration of the compound required for cyclic AMP dependent inhibition of blood platelet aggregation for A2 receptor stimulation | ChEMBL. | 8258836 |
| EC50 (binding) | > 112.219 um | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)] | ChEMBL. | No reference |
| ED50 (functional) | = 10 ug ml-1 | Effective dose required for antiviral activity against HSV-1 virus | ChEMBL. | 2213836 |
| ED50 (functional) | > 10 ug ml-1 | Effective dose required for antiviral activity against VSV virus | ChEMBL. | 2213836 |
| ED50 (functional) | = 16 ug ml-1 | Effective dose required for antiviral activity against Vaccinia virus | ChEMBL. | 2213836 |
| ED50 (functional) | = 40 ug ml-1 | Effective dose required for antiviral activity against ASFV virus | ChEMBL. | 2213836 |
| Efficacy (functional) | = 0 mg kg-1 | Efficacy of the compound expressed as number of surviving mice infected with herpetic encephalitis at dose of 0 mg/kg | ChEMBL. | 3950905 |
| Efficacy (functional) | = 0 mg kg-1 | Efficacy of the compound expressed as number of surviving mice infected with herpetic encephalitis at dose of 75 mg.kg | ChEMBL. | 3950905 |
| Efficacy (functional) | = 0 mg kg-1 | Efficacy of the compound expressed as number of surviving mice infected with herpetic encephalitis at dose of 150 mg/kg | ChEMBL. | 3950905 |
| GI50 (functional) | -4.785 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the P388 Leukemia cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.641 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.64 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.392 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -3.981 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -3.865 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -3.748 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -3.664 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -3.643 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -3.562 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -3.424 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -3.347 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| HR (functional) | = 52 % | Tested for the percent increase in heart rate (HR) in open chest anesthetized dog at intravenous dosage of 2.00 mg/kg | ChEMBL. | 7365748 |
| IC50 (binding) | > 10 mM | Inhibition of [alpha-32P]ATP binding to DnaA protein purified from E. coli | ChEMBL. | No reference |
| IC50 (functional) | 0 ug ml-1 | Inhibition of cytopathogenicity of herpes simplex type 2 virus(HSV-12(G) in Hela cell culture; Not active up to 128 ug/mL. | ChEMBL. | 7473592 |
| IC50 (functional) | 0 ug ml-1 | Inhibition of cytopathogenicity of varicella-zoster virus(VZV)(YS) in Hela cell culture; Not active up to 128 ug/mL. | ChEMBL. | 7473592 |
| IC50 (functional) | = 0.4 ug ml-1 | Compound was evaluated for antiviral activity in rabbit kidney cells infected with vaccinia virus | ChEMBL. | 6267280 |
| IC50 (functional) | = 1 ug ml-1 | Concentration required to reduce HSV-1(KOS) induced cytopathogenicity by 50% was measured by the addition of [Me-3H]-dThd | ChEMBL. | 6267280 |
| IC50 (functional) | = 1 ug ml-1 | Concentration required to reduce HSV-1(KOS) induced cytopathogenicity by 50% was measured by the addition of [1,'2'-3H]dUrd | ChEMBL. | 6267280 |
| IC50 (functional) | = 3 ug ml-1 | Concentration required to reduce HSV-2 induced cytopathogenicity by 50% in primary rabbit kidney (PRK) cells; 2-4 | ChEMBL. | 6267280 |
| IC50 (functional) | = 4 ug ml-1 | Concentration required to reduce HSV-1(KOS) induced cytopathogenicity by 50% was measured | ChEMBL. | 6267280 |
| IC50 (functional) | = 7 ug ml-1 | Concentration required to reduce HSV-1 induced cytopathogenicity by 50% in primary rabbit kidney (PRK) cells; 4-10 | ChEMBL. | 6267280 |
| IC50 (functional) | = 10 ug ml-1 | Concentration required to reduce TK-HSV-1 (B2006) induced cytopathogenicity by 50% in primary rabbit kidney (PRK) cells | ChEMBL. | 6267280 |
| IC50 (functional) | = 10 ug ml-1 | Concentration required to inhibit incorporation of [1,'2'-3H]dUrd into DNA of primary rabbit kidney (PRK) cells by 50% | ChEMBL. | 6267280 |
| IC50 (functional) | = 20 ug ml-1 | Concentration required to inhibit incorporation of [Me-3H]-dThd into DNA of primary rabbit kidney (PRK) cells by 50% | ChEMBL. | 6267280 |
| IC50 (functional) | = 20.9 ug ml-1 | The cytotoxic activity of the compound in HL-60 cells | ChEMBL. | 9371251 |
| IC50 (functional) | = 0.15 uM | Concentration required to increase Adenosine A2A receptor mediated P12 Adenylate cyclase activity | ChEMBL. | 1766003 |
| IC50 (functional) | 0.514532258 uM | PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 10 point CRC. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (functional) | 0.587723479 uM | PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222] | ChEMBL. | No reference |
| IC50 (functional) | = 1.8 uM | Inhibition of epinephrine induced human blood platelet aggregation | ChEMBL. | 2900899 |
| IC50 (functional) | = 2.5 uM | Inhibition of ADP induced human blood platelet aggregation | ChEMBL. | 2900899 |
| IC50 (functional) | = 5.94 uM | Concentration of the compound that inhibits platelet aggregation induced by ADP (7 uM) by 50% | ChEMBL. | 3373486 |
| IC50 (functional) | = 6 uM | In vitro inhibitory activity of the compound was measured against tumor necrosis factor-alpha production | ChEMBL. | 8691460 |
| IC50 (functional) | = 10.8 uM | Inhibition of cytopathogenicity of herpes simplex type 1 virus(HSV-1)(KOS) in Hela cell culture. | ChEMBL. | 7473592 |
| IC50 (functional) | = 11.9 uM | Compound was evaluated for its antiproliferative activity on human T-lymphocyte Molt4/C8 cells | ChEMBL. | No reference |
| IC50 (functional) | = 11.9 uM | Antitumor activity of the compound was evaluated against Molt4/C8 cell line | ChEMBL. | 9871764 |
| IC50 (functional) | = 14.2 uM | Tested for its antiproliferative activity on murine leukemia L1210 cells | ChEMBL. | No reference |
| IC50 (functional) | = 14.2 uM | Antitumor activity of the compound was evaluated against L1210 cell line | ChEMBL. | 9871764 |
| IC50 (functional) | = 24.8 uM | Compound was evaluated for its antiproliferative activity on human T-lymphocyte CEM cells | ChEMBL. | No reference |
| IC50 (functional) | = 24.8 uM | Antitumor activity of the compound was evaluated against CEM cell line | ChEMBL. | 9871764 |
| IC50 (binding) | = 30.3 uM | Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the ATP binding site | ChEMBL. | 2165159 |
| IC50 (binding) | = 35 uM | Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte | ChEMBL. | 7932587 |
| IC50 (binding) | = 50 uM | Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Leishmania mexicana | ChEMBL. | 7932587 |
| IC50 (binding) | = 82 uM | Compound was evaluated for inhibition of adenylate cyclase from rat brain | ChEMBL. | 14971900 |
| IC50 (functional) | = 98.8500000000002 uM | Concentration required to cause microscopically visible change or disruption in about 50% of Hela cell sheet. | ChEMBL. | 7473592 |
| IC50 (functional) | > 100 uM | in vitro inhibitory activity of the compound was measured against interleukin-1beta (IL-1beta) production | ChEMBL. | 8691460 |
| IC50 (functional) | > 100 uM | in vitro inhibitory activity of the compound was measured against interleukin-6(IL-6) production | ChEMBL. | 8691460 |
| IC50 (binding) | = 100 uM | Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei | ChEMBL. | 7932587 |
| IC50 (binding) | = 116 uM | Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings | ChEMBL. | 10360754 |
| IC50 (binding) | = 126 uM | Inhibition of Casein kinase 1 from rat liver | ChEMBL. | 10360754 |
| IC50 (binding) | = 141 uM | Inhibition of murine Protein kinase A | ChEMBL. | 10360754 |
| IC50 (binding) | = 160 uM | Inhibition of PKA at 100 microM ATP | ChEMBL. | No reference |
| IC50 (binding) | = 278 uM | Inhibitory activity against Protein kinase C beta isoform (PKC) from pig spleen. | ChEMBL. | 10360754 |
| IC50 (binding) | > 300 uM | Compound was evaluated for inhibition of adenylate cyclase from rat brain | ChEMBL. | 14971900 |
| IC50 (binding) | > 300 uM | Inhibition of Casein kinase 2 from rat liver | ChEMBL. | 10360754 |
| IC50 (binding) | = 1100 uM | Inhibition of PKA at 2 mM ATP | ChEMBL. | No reference |
| IC50 (binding) | = 50000 uM | Inhibitory activity measured for Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in Leishmania. mexicana | ChEMBL. | 9822549 |
| ID50 (functional) | = 1 ug ml-1 | Inhibitory dose of the compound against vaccinia viral strain Lederle CA in vero cell line | ChEMBL. | 2544721 |
| ID50 (functional) | = 1.8 ug ml-1 | Inhibitory dose of the compound against vaccinia viral strain Lederle CA in vero cell line | ChEMBL. | 2544721 |
| ID50 (functional) | = 2 ug ml-1 | Inhibitory dose of the compound against vaccinia viral strain Lederle CA in vero cell line | ChEMBL. | 2544721 |
| ID50 (functional) | = 15 ug ml-1 | Concentration required to reduce RNA synthesis in primary rabbit kidney cells using [3H-5]-Urd incorporation | ChEMBL. | 3950905 |
| ID50 (functional) | = 21 ug ml-1 | Antiviral activity against various strains of Herpes Simplex virus type I | ChEMBL. | 6292425 |
| ID50 (functional) | = 27 ug ml-1 | dose required to reduce primary rabbit kidney cell growth | ChEMBL. | 3950905 |
| ID50 (functional) | = 31 ug ml-1 | Concentration required to reduce DNA synthesis in primary rabbit kidney cells using [3H-Methyl]-dThd incorporation | ChEMBL. | 3950905 |
| ID50 (functional) | > 200 ug ml-1 | Concentration required to reduce protein synthesis in primary rabbit kidney cells using[3H2-4,5]leucine incorporation | ChEMBL. | 3950905 |
| ID50 (functional) | = 2.4 uM | Compound was evaluated for antiviral activity of the compound expressed as ID50 for the inhibition of cellular DNA and protein synthesis in wild-type cells | ChEMBL. | 6312045 |
| ID50 (functional) | = 10.8 uM | In vitro antitumor activity against murine doxorubicin-resistant P388 cell line at 72 h | ChEMBL. | 3339608 |
| ID50 (functional) | = 11 uM | Concentration required to reduce the number of viral plaques in vivo cell monolayers of herpes simplex virus type 1. | ChEMBL. | 2521518 |
| ID50 (functional) | = 12.7 uM | In vitro antitumor activity against murine P388 cell line at 72 h | ChEMBL. | 3339608 |
| ID50 (functional) | = 16.8 uM | Compound was tested for its antitumor activity to inhibit 50% of tumor cell growth in mouse leukemia P388 cell lines. | ChEMBL. | 2066996 |
| ID50 (functional) | = 21.7 uM | Compound was tested for its antitumor activity to inhibit 50% of tumor cell growth in mouse leukemia L1210 cell lines. | ChEMBL. | 2066996 |
| ID50 (functional) | = 22 uM | Antiviral activity against herpes simplex virus type 1 (strain 377). | ChEMBL. | 6312045 |
| ID50 (functional) | = 23.6 uM | In vitro antitumor activity against murine L1210 cell line at 72 h | ChEMBL. | 3339608 |
| ID50 (functional) | = 25.4 uM | In vitro antitumor activity against human KB cell line at 144 h | ChEMBL. | 3339608 |
| ID50 (functional) | = 27.7 uM | In vitro antitumor activity against human HeLa cell line at 144 hr | ChEMBL. | 3339608 |
| ID50 (functional) | = 42 uM | Antiviral activity against herpes simplex virus type 1 (strain HF). | ChEMBL. | 6312045 |
| ID50 (functional) | = 46 uM | In vitro antitumor activity against human HeLa cell line at 72 h | ChEMBL. | 3339608 |
| ID50 (functional) | = 75 uM | Concentration required to reduce the number of viral plaques in vivo cell monolayers of herpes simplex virus type 2. | ChEMBL. | 2521518 |
| ID50 (functional) | = 89.8 uM | In vitro antitumor activity against human KB cell line at 72 h | ChEMBL. | 3339608 |
| ID50 (functional) | = 242 uM | Compound was evaluated for antiviral activity of the compound expressed as ID50 for the inhibition of cellular DNA and protein synthesis in ara-A resistant cells | ChEMBL. | 6312045 |
| ILS (functional) | = 33 % | Antitumor activity was evaluated as percent increase in life span in BDF1 mice (six mice per group) implanted intraperitoneally with P-388 leukemia cells (10e6 )at a dose of 600 mg/Kg, | ChEMBL. | 2411927 |
| Inhibition (functional) | = 0 % | Inhibition of viral DNA synthesis in HSV-1 virus at the dose of 20 microg/mL. | ChEMBL. | 6298419 |
| Inhibition (functional) | = 0 % | Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the absence of S-9 microsome fraction at concentration 0.17 micro M | ChEMBL. | 7783159 |
| Inhibition (functional) | = 0 % | Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the absence of S-9 microsome fraction at concentration 114 micro M | ChEMBL. | 7783159 |
| Inhibition (functional) | = 0 % | Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the presence of S-9 microsome fraction at concentration 11 micro M | ChEMBL. | 7783159 |
| Inhibition (functional) | = 0.04 % | Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the presence of S-9 microsome fraction at concentration 0.17 micro M | ChEMBL. | 7783159 |
| Inhibition (functional) | = 7 % | Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the presence of S-9 microsome fraction at concentration 1136 micro M | ChEMBL. | 7783159 |
| Inhibition (functional) | = 8 % | Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the absence of S-9 microsome fraction at concentration 1.1 micro M | ChEMBL. | 7783159 |
| Inhibition (functional) | = 19 % | Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the absence of S-9 microsome fraction at concentration 11 micro M | ChEMBL. | 7783159 |
| Inhibition (functional) | = 22 % | Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the presence of S-9 microsome fraction at concentration 1.1 micro M | ChEMBL. | 7783159 |
| Inhibition (functional) | = 36 % | Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the presence of S-9 microsome fraction at concentration 114 micro M | ChEMBL. | 7783159 |
| Inhibition (functional) | = 43 % | Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the absence of S-9 microsome fraction at concentration 1136 micro M | ChEMBL. | 7783159 |
| Inhibition (functional) | = 64 % | Inhibition of ADP-induced platelet aggregation at 100 ug/mL | ChEMBL. | 6279841 |
| Inhibition (functional) | = 86.79 % | Inhibition of cellular DNA synthesis in BSCL cells at the dose of 20 microg/mL. | ChEMBL. | 6298419 |
| Inhibition (functional) | = 96.5 % | Growth inhibition against HSV-1 virus in BSCL cells at the dose of 20 microg/mL and 22h time of treatment. | ChEMBL. | 6298419 |
| Inhibitory response (functional) | = 64 % | Compound was screened for its platelet aggregation induced by adenosine diphosphate in vitro in rabbit | ChEMBL. | 10346922 |
| K 0.5 (functional) | 0 nM | Tested for stimulation of production of inositol phosphate in turkey erythrocyte membrane; Not active | ChEMBL. | 8254622 |
| k cat (binding) | = 91.2 M-1 | Enzyme catalytic rate kinetic constant of the compound was determined for S-adenosyl-L-homocysteine hydrolase | ChEMBL. | 12781179 |
| k cat (binding) | = 76.4 s-1 | Kcat value of the compound against adenosine deaminase (ADA) | ChEMBL. | 15189036 |
| k cat (binding) | = 76.4 s-1 | Kinetic parameter Kcat of compound used as substrate for Adenosine deaminase was evaluated | ChEMBL. | 12383014 |
| k cat/Km (binding) | = 3.1 uM-1 s-1 | Kcat/KM of compound against adenosine deaminase (ADA) was determined | ChEMBL. | 15189036 |
| k cat/Km (binding) | = 3.1 uM-1 s-1 | Ratio of kinetic parameter Kcat to that of binding affinity towards adenosine deaminase KM. | ChEMBL. | 12383014 |
| Ka (binding) | = 100000000 M-1 | Enzyme inhibitory activity of the compound towards Adenosine deaminase | ChEMBL. | 10508425 |
| Kel (ADMET) | = 0.31 hr-1 | In vitro biotransformation of compound in mice liver homogenate 9-(beta-D-arabinifuranosyl)adenine(ara-H) analyte | ChEMBL. | 8978848 |
| Kel (ADMET) | = 16.87 hr-1 | In vitro biotransformation of compound in mice liver homogenate 9-(beta-D-arabinifuranosyl)-6-azidopurine(6-AAP) analyte | ChEMBL. | 8978848 |
| Ki (binding) | = 0.58 mM | Inhibitory activity against rat Adenylate kinase M isoenzyme was determined in the presence of ATP, Competitive inhibition | ChEMBL. | 6292418 |
| Ki (binding) | = 2.18 mM | Tested for binding constant against adenosine deaminase (ADA2) in human plasma | ChEMBL. | 8258836 |
| Ki (binding) | = 2.5 mM | Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase) | ChEMBL. | 9934461 |
| Ki (binding) | = 19 mM | Inhibitory activity against rat adenylate kinase II (AK-II)isoenzyme was determined in the presence of ATP, non competitive inhibition | ChEMBL. | 6292418 |
| Ki (binding) | = 82 mM | Inhibitory activity against rat Adenylate kinase M isoenzyme in the presence of AMP non competitive inhibition | ChEMBL. | 6292418 |
| Ki (binding) | = 87 mM | Inhibitory activity against rat adenylate kinase II was determined in the presence of ATP, non competitive inhibition | ChEMBL. | 6292418 |
| Ki (binding) | = 92 mM | Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, non competitive inhibition | ChEMBL. | 6292418 |
| Ki (binding) | = 5 nM | Binding affinity for Adenosine A2 receptor in corpora striata of rats using [3H]-NECA | ChEMBL. | 2374150 |
| Ki (binding) | = 5.1 nM | Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor | ChEMBL. | 2258897 |
| Ki (binding) | = 10 nM | Evaluated for the binding affinity towards the Adenosine A1 receptor in corpora striata of rats using [3H]-CHA as radioligand. | ChEMBL. | 2374150 |
| Ki (binding) | = 12.8 nM | Inhibition of binding of [3H]-N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes. | ChEMBL. | 2754691 |
| Ki (binding) | = 12.8 nM | Affinity for Adenosine A1 receptor determined by [3H]-N6-cyclohexyladenosine binding to rat brain membranes | ChEMBL. | No reference |
| Ki (binding) | = 37 nM | Inhibition of binding of [3H]-NECA to adenosine A2 receptor of rat striatal membranes. | ChEMBL. | 2754691 |
| Ki (binding) | = 37 nM | Affinity for Adenosine A2 receptor determined by [3H]-NECA binding to rat striatal membranes | ChEMBL. | No reference |
| Ki (binding) | 0 uM | Inhibitory activity of the compound against S-adenosyl-L-homocysteine hydrolase was determined; Not determined | ChEMBL. | 12781179 |
| Ki (binding) | 0 uM | Inhibition of [3H]- (R)-P1A binding to adenosine receoptor A1; Adenosine can not be assayed because of the presence of adenosine deaminase added to the assay mixure | ChEMBL. | 1766003 |
| Ki (binding) | 0 uM | Inhibition of [3H]- NECA binding to adenosine receptor A2A; Adenosine can not be assayed because of the presence of adenosine deaminase added to the assay mixure | ChEMBL. | 1766003 |
| Ki (binding) | = 15 uM | Inhibitory constant for Protein Kinase A | ChEMBL. | No reference |
| Ki (binding) | = 19.2 uM | Binding affinity (Ki) against human phosphatidylinositol 4-kinase | ChEMBL. | 2165159 |
| Ki (binding) | = 29 uM | Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]-PIA as radioligand. | ChEMBL. | 7707320 |
| Km (binding) | = 0 M | Ability to inhibit calf intestinal adenosine deaminase (ADA); No data | ChEMBL. | 7086847 |
| Km (binding) | = 0.000033 M | Binding affinity against calf intestine adenosine deaminase enzyme | ChEMBL. | 6699873 |
| Km (binding) | = 5 M | Michaelis constant was determined against mammalian Adenosine deaminase | ChEMBL. | 11882000 |
| Km (binding) | = 0.7 uM | Compound was tested for inhibition of Adenosine transporter P2 type by using [2-3H]-adenosine as radioligand in T. equiperdum | ChEMBL. | 10890161 |
| Km (binding) | = 0.82 uM | Enzyme kinetic constant of the compound was determined for S-adenosyl-L-homocysteine hydrolase | ChEMBL. | 12781179 |
| Km (binding) | = 24.5 uM | Menton constant of the compound against adenosine deaminase (ADA) | ChEMBL. | 15189036 |
| Km (binding) | = 24.5 uM | Binding efficiencies towards mammalian Adenosine deaminase from calf intestinal mucosa | ChEMBL. | 12383014 |
| Km (binding) | = 29 uM | Kinetic parameter was determined against adenosine deaminase expressed as Km | ChEMBL. | 4068000 |
| Km (ADMET) | = 29 uM | Compound was evaluated for the apparent Km value. | ChEMBL. | 3489838 |
| Km (binding) | = 42 uM | Kinetic constant (Km) for the deamination of compound by adenosine deaminase | ChEMBL. | 10673097 |
| Km (binding) | = 45.3 uM | Km value was determined by competitive inhibition of Adenosine deaminase | ChEMBL. | 7473592 |
| Km (binding) | = 50.45 uM | Michaelis Menten constant of the compound for Calf intestinal mucosa adenosine deaminase was determined | ChEMBL. | No reference |
| Km (binding) | = 120 uM | Kinetic parameter in calf intestine adenosine deaminase. | ChEMBL. | 6620307 |
| Km (binding) | = 178.9 uM | Inhibition of Phosphatidylinositol 4-kinase at the ATP binding site | ChEMBL. | 2165159 |
| LD50 (ADMET) | > 750 mg kg-1 | Number of living cells on the proliferation of mouse myeloma cells SP2 was measured at concentration 1 ug/mL at 96 h. | ChEMBL. | 3950905 |
| logP (ADMET) | = 0.47 | Partition coefficient (logP) (1-pentanol) | ChEMBL. | 7473592 |
| MCC (functional) | = 2 ug ml-1 | Antiviral activity of the compound was measured against Vaccinia virus in rabbit kidney cells. | ChEMBL. | 3950905 |
| MCC (functional) | = 10 ug ml-1 | Antiviral activity of the compound was measured against Herpes simplex virus (HSV-2 G) in rabbit kidney cells. | ChEMBL. | 3950905 |
| MCC (functional) | = 20 ug ml-1 | Antiviral activity of the compound was measured against Herpes simplex virus (HSV-1 KOS) in rabbit kidney cells. | ChEMBL. | 3950905 |
| MCC (functional) | = 70 ug ml-1 | Antiviral activity of the compound was measured against Vesicular stomatitis virus in rabbit kidney cells. | ChEMBL. | 3950905 |
| MCC (functional) | >= 100 ug ml-1 | Concentration of the compound required for microscopically detectable alteration of the normal cell morphology in Wi-38 cells. | ChEMBL. | 3950905 |
| MCC (functional) | > 100 ug ml-1 | Antiviral activity of the compound was measured against Polio virus-1 in HeLa cells. | ChEMBL. | 3950905 |
| MCC (functional) | > 100 ug ml-1 | Antiviral activity of the compound was measured against Coxsackie virus B4 in HeLa cells. | ChEMBL. | 3950905 |
| MCC (functional) | > 100 ug ml-1 | Antiviral activity of the compound was measured against Coxsackie virus B4 in african green monkey kidney (Vero B) cells. | ChEMBL. | 3950905 |
| MCC (functional) | > 100 ug ml-1 | Antiviral activity of the compound was measured against Sindbis virus in african green monkey kidney (Vero B) cells. | ChEMBL. | 3950905 |
| MCC (functional) | > 100 ug ml-1 | Antiviral activity of the compound was measured against forest virus in african green monkey kidney (Vero B) cells. | ChEMBL. | 3950905 |
| MCC (functional) | > 100 ug ml-1 | Antiviral activity of the compound was measured against Rhino virus-1A in human diploid (WI-38) cells. | ChEMBL. | 3950905 |
| MCC (functional) | > 100 ug ml-1 | Antiviral activity of the compound was measured against Rhino virus-9 in human diploid (WI-38) cells. | ChEMBL. | 3950905 |
| MCC (functional) | = 150 ug ml-1 | Antiviral activity of the compound was measured against vesicular stomatitis virus in HeLa cells. | ChEMBL. | 3950905 |
| MCC (functional) | = 150 ug ml-1 | Antiviral activity of the compound was measured against Parainfluenza virus-3 in african green monkey kidney (Vero B) cells. | ChEMBL. | 3950905 |
| MCC (functional) | = 150 ug ml-1 | Antiviral activity of the compound was measured against Reo virus-1 in african green monkey kidney (Vero B) cells. | ChEMBL. | 3950905 |
| MCC (functional) | >= 200 ug ml-1 | Concentration of the compound required for microscopically detectable alteration of the normal cell morphology in PRK cells. | ChEMBL. | 3950905 |
| MCC (functional) | >= 200 ug ml-1 | Concentration of the compound required for microscopically detectable alteration of the normal cell morphology in HeLa cells. | ChEMBL. | 3950905 |
| MCC (functional) | >= 200 ug ml-1 | Concentration of the compound required for microscopically detectable alteration of the normal cell morphology in Vero B cells. | ChEMBL. | 3950905 |
| MED50 (functional) | = 0.8 ug ml-1 | Inhibitory activity against herpes simplex virus type 1 grown in L929 cells | ChEMBL. | 6283083 |
| MIC (functional) | = 2.1 ug ml-1 | Minimum Inhibitory concentration of the drug required for 50% inhibition of herpes simplex virus type 1 (strain E-377) -induced cytopathogenic effects in infected cell cultures. | ChEMBL. | 7097716 |
| MIC (functional) | = 10 ug ml-1 | In vitro inhibition of cytopathogenicity induced by HF strain of Herpes Simplex Virus (HSV-1) replicating in human epidermoid carcinoma no.2 (H.Ep-2) cells | ChEMBL. | 6325694 |
| MIC (functional) | = 10 ug ml-1 | Minimum inhibitory concentration against HSV-1. | ChEMBL. | 4067994 |
| MIC (functional) | = 10 ug ml-1 | Minimum inhibitory concentration against HSV-2. | ChEMBL. | 4067994 |
| MIC (functional) | = 19.2 ug ml-1 | Minimum Inhibitory concentration of the drug required for 50% inhibition vaccinia virus (strain Lederle chorioallantoic)-induced cytopathogenic effects in infected cell cultures. | ChEMBL. | 7097716 |
| MIC50 (functional) | = 5 ug ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-I strain 377) in vero cells in exp. No. 3 | ChEMBL. | 3001308 |
| MIC50 (functional) | = 6 ug ml-1 | Antiviral activity against the HSV-1 HF strain from monolayers of human epidermoid carcinoma (H.Ep.-2) cells | ChEMBL. | 3035178 |
| MIC50 (functional) | = 6.4 ug ml-1 | Concentration required to inhibit HSV type 1 strain 377 induced cytopathogenic affects by 50%; 6.4-9.8 | ChEMBL. | 6092635 |
| MIC50 (functional) | = 6.4 ug ml-1 | Concentration required to inhibit HSV type 2 strain MS induced cytopathogenic affects by 50%; 6.4-30 | ChEMBL. | 6092635 |
| MIC50 (functional) | = 9.8 ug ml-1 | Minimum inhibitory concentration of the compound required to inhibit Herpes simplex virus type 1 (strain 377) induced cytopathogenic effects by 50%. | ChEMBL. | 2822928 |
| MIC50 (functional) | = 9.8 ug ml-1 | Minimum inhibitory concentration (MIC50) in Herpes simplex virus type-1 (HSV-1) using 377 strain. | ChEMBL. | 6298423 |
| MIC50 (functional) | = 15 ug ml-1 | Antiviral activity against the HSV-1 377 strain from monolayers of verocells | ChEMBL. | 3035178 |
| MIC50 (functional) | = 15 ug ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-I strain 377) in vero cells in exp. No. 2 | ChEMBL. | 3001308 |
| MIC50 (functional) | = 18 ug ml-1 | Antiviral activity against the HSV-1 377 strain from monolayers of verocells | ChEMBL. | 3035178 |
| MIC50 (functional) | = 18 ug ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-I strain 377) in vero cells of in exp. No. 1 | ChEMBL. | 3001308 |
| MIC50 (functional) | = 20.1 ug ml-1 | Minimum inhibitory concentration (MIC50) in Herpes simplex virus type-2 (HSV-2) using MS strain. | ChEMBL. | 6298423 |
| MIC50 (functional) | = 22 ug ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-2 strain MS) in vero cells in exp. No. 1 | ChEMBL. | 3001308 |
| MIC50 (functional) | = 24 ug ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-2 strain MS) in vero cells in exp. No. 3 | ChEMBL. | 3001308 |
| MIC50 (functional) | = 26.8 ug ml-1 | Inhibition of cytopathogenic effect was determined against Herpes simplex virus (HSV) -2 in vero cell monolayer culture | ChEMBL. | 3033247 |
| MIC50 (functional) | = 30 ug ml-1 | Minimum inhibitory concentration of the compound required to inhibit Herpes simplex virus type 2 (strain MS) induced cytopathogenic effects by 50%. | ChEMBL. | 2822928 |
| MIC50 (functional) | = 34 ug ml-1 | Antiviral activity against the HSV-1 377 strain from monolayers of verocells | ChEMBL. | 3035178 |
| MIC50 (functional) | = 45 ug ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-2 strain MS) in vero cells in exp. No. 2 | ChEMBL. | 3001308 |
| MIC50 (functional) | = 56 ug ml-1 | Antiviral activity against the HSV-2 MS strain | ChEMBL. | 3035178 |
| MIC50 (functional) | = 0.02 uM ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-I strain 377) in vero cells in exp. No. 3 | ChEMBL. | 3001308 |
| MIC50 (functional) | = 0.06 uM ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-I strain 377) in vero cells in exp. No. 2 | ChEMBL. | 3001308 |
| MIC50 (functional) | = 0.07 uM ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-I strain 377) in vero cells in exp. No. 1 | ChEMBL. | 3001308 |
| MIC50 (functional) | = 0.08 uM ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-2 strain MS) in vero cells in exp. No. 1 | ChEMBL. | 3001308 |
| MIC50 (functional) | = 0.09 uM ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-2 strain MS) in vero cells in exp. No. 3 | ChEMBL. | 3001308 |
| MIC50 (functional) | = 0.17 uM ml-1 | Compound was tested for the inhibition of the replication of herpes simplex virus (HSV-2 strain MS) in vero cells in exp. No. 2 | ChEMBL. | 3001308 |
| MNTD (functional) | = 6 ug ml-1 | Maximum nontoxic dose that allow exponential cell growth for three cell cycles | ChEMBL. | 2213836 |
| MST (functional) | = 12 day | Antitumor activity was evaluated as median survival time in BDF1 mice (six mice per group) implanted intraperitoneally with P-388 leukemia cells (10e6 )at a dose of 600 mg/Kg, | ChEMBL. | 2411927 |
| MTC (functional) | = 100 ug ml-1 | Minimum toxic effect against HEp-2 cells. | ChEMBL. | 4067994 |
| NBT positive cells (functional) | = 9 % | Differentiating activity of compound in HL60 cells at conc 10 microg/mL | ChEMBL. | 9371251 |
| NBT positive cells (functional) | = 12 % | Differentiating activity of compound in HL60 cells at conc 50 microg/mL | ChEMBL. | 9371251 |
| No. of dead mice (ADMET) | = 0 | Toxicity of compound against mice was determined at a concentration of 100 mg/kg | ChEMBL. | 3950905 |
| No. of dead mice (ADMET) | = 0 | Toxicity of compound against mice was determined at a concentration of 250 mg/kg | ChEMBL. | 3950905 |
| No. of dead mice (ADMET) | = 0 | Toxicity of compound against mice was determined at a concentration of 750 mg/kg | ChEMBL. | 3950905 |
| No. of dead mice (ADMET) | = 0 | Toxicity of compound against mice was determined at a concentration of 1200 mg/kg | ChEMBL. | 3950905 |
| No. of dead mice (ADMET) | = 0 | Toxicity of compound against mice was determined at a concentration of 2000 mg/kg | ChEMBL. | 3950905 |
| No. of mice (functional) | = 1 | Number of mice with skin lesions plus paralysis, after HSV-1 infection observed from day 12 to day 20 | ChEMBL. | 3585910 |
| No. of mice (functional) | = 3 | Number of mice normal, without lesion after HSV-1 infection observed from day 12 to day 20 | ChEMBL. | 3585910 |
| No. of mice (functional) | = 3 | Number of mice normal, without lesion after HSV-2 infection observed from day 12 to day 20 | ChEMBL. | 3585910 |
| No. of mice (functional) | = 6 | Number of mice dead, after HSV-1 infection observed from day 12 to day 20 | ChEMBL. | 3585910 |
| No. of mice (functional) | = 7 | Number of mice dead, after HSV-2 infection observed from day 12 to day 20 | ChEMBL. | 3585910 |
| No. of mice (functional) | = 10 | Number of mice normal, without lesion after HSV-1 infection observed from day 0 to day 3 | ChEMBL. | 3585910 |
| No. of mice (functional) | = 10 | Number of mice normal, without lesion after HSV-2 infection observed from day 0 to day 3 | ChEMBL. | 3585910 |
| pKa | = 3.6 | Ionisation constant (pKa) | ChEMBL. | 2999397 |
| PO2 (functional) | = 200 % | Tested for percent increase in coronary sinus partial pressure of oxygen (PO2) in open chest anesthetized dog at intravenous dosage of 2.00 mg/kg | ChEMBL. | 7365748 |
| Potency (functional) | = 1.2589 um | PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] | ChEMBL. | No reference |
| Potency (functional) | 1.7366 uM | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP1 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489043, AID492948] | ChEMBL. | No reference |
| Potency (functional) | = 2.5119 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] | ChEMBL. | No reference |
| Potency (functional) | = 2.5119 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] | ChEMBL. | No reference |
| Potency (functional) | = 3.9811 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 7.757 uM | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP2 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] | ChEMBL. | No reference |
| Potency (functional) | 9.1962 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
| Potency (functional) | 9.7654 uM | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: V1B Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] | ChEMBL. | No reference |
| Potency (functional) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (ADMET) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (ADMET) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 14.7157 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] | ChEMBL. | No reference |
| Potency (functional) | = 89.1251 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | ChEMBL. | No reference |
| Protection (functional) | = 56 % | In vivo anti-viral activity of the compound against Vaccinia tailpox mice model at dose 300 mg/kg (tested on 20 mice - Experiment 1) | ChEMBL. | 2544721 |
| Protection (functional) | = 88 % | In vivo anti-viral activity of the compound against Vaccinia tailpox mice model at dose 300 mg/kg (tested on 20 mice - Experiment 2) | ChEMBL. | 2544721 |
| Radioactivity (functional) | < 1 % | Percent of compound radioactivity ([3H]-Ap4A Degradation) in heparinized rat plasma (saline) | ChEMBL. | 12672257 |
| Radioactivity (functional) | < 1 % | Percent of compound radioactivity ([3H]-Ap4A Degradation), in presence of added Ap(s)pCH2pp(s)A, in heparinized rat plasma | ChEMBL. | 12672257 |
| Radioactivity (functional) | < 1 % | Percent of compound radioactivity ([3H]-Ap4A Degradation), in presence of added Ap(s)pCHClpp(s)A, in heparinized rat plasma | ChEMBL. | 12672257 |
| Radioactivity (functional) | = 14.3 % | Percent of compound radioactivity ([3H]-Ap4A Degradation), in presence of added Ap(s)pCHClpp(s)A, in the incubation medium of INS-1 cell membranes | ChEMBL. | 12672257 |
| Radioactivity (functional) | = 15.1 % | Percent of compound radioactivity ([3H]-Ap4A Degradation), in presence of added Ap4A, in the incubation medium of INS-1 cell membranes | ChEMBL. | 12672257 |
| Radioactivity (functional) | = 19.4 % | Percent of compound radioactivity ([3H]-Ap4A Degradation), in presence of added Ap(s)pCH2pp(s)A, in the incubation medium of INS-1 cell membranes | ChEMBL. | 12672257 |
| Radioactivity (functional) | = 22.4 % | Percent of compound radioactivity ([3H]-Ap4A Degradation), determined in the incubation medium of INS-1 cell membranes | ChEMBL. | 12672257 |
| Ratio (functional) | = 0.63 | Ratio measured as the VR of C-3''-deoxyribofuranoside to the VR of the compound at a MIC of 6 ug/mL | ChEMBL. | 3035178 |
| Ratio (functional) | = 0.95 | Ratio measured as the VR of C-3''-deoxyribofuranoside to the VR of the compound at a MIC of 34 ug/mL | ChEMBL. | 3035178 |
| Ratio (functional) | = 1.3 | Ratio measured as the VR of C-3''-deoxyribofuranoside to the VR of the compound at a MIC of 15 ug/mL | ChEMBL. | 3035178 |
| Ratio (functional) | = 1.44 | Ratio measured as the VR of C-3''-deoxyribofuranoside to the VR of the compound at a MIC of 56 ug/mL | ChEMBL. | 3035178 |
| Ratio (functional) | = 1.5 | Ratio measured as the VR of C-3''-deoxyribofuranoside to the VR of the compound at a MIC of 18 ug/mL | ChEMBL. | 3035178 |
| Ratio (binding) | = 2.9 | Selectivity ratio for A1 receptor to that of A2 receptor in vitro in rat tissues | ChEMBL. | 2754691 |
| Ratio (binding) | = 2.9 | Binding affinity ratio for A2 receptor and to that of A1 receptor in rat | ChEMBL. | No reference |
| Ratio (functional) | = 3.1 | Compound was evaluated for in vitro therapeutic index ratio of the ID50 for inhibition of cellular DNA and protein synthesis to the ID50 for inhibition of virus replication | ChEMBL. | 6312045 |
| Ratio (binding) | = 6.9 | Ratio of kinetic constant (Vmax/Km) for the deamination of compound by adenosine deaminase | ChEMBL. | 10673097 |
| Ratio (binding) | = 6.9 | Ratio of PKA inhibition at 100 uM ATP and 2 mM ATP | ChEMBL. | No reference |
| Ratio (binding) | = 15 | Ratio of kinetic parameters Vmax to the of Km. | ChEMBL. | 4068000 |
| Ratio (functional) | = 80 | Ratio of stim-QRS (conduction block) to EC50 for vasodilation of coronary arteries | ChEMBL. | 2016708 |
| Ratio (functional) | = 80 | Ratio of EC50 stim-QRS (conduction block) and EC50 for vasodilation of coronary arteries | ChEMBL. | 2016707 |
| Reduction (functional) | = 18 % | Antiviral activity against varicella-zoster virus (VV) in human foreskin cell cultures in virus plaque reduction assay at 3.2 microM | ChEMBL. | 2822928 |
| Reduction (functional) | = 44 % | Antiviral activity against varicella-zoster virus (VV) in human foreskin cell cultures in virus plaque reduction assay at 10 microM | ChEMBL. | 2822928 |
| Reduction (functional) | = 97 % | Antiviral activity against varicella-zoster virus (VV) in human foreskin cell cultures in virus plaque reduction assay at 100 microM | ChEMBL. | 2822928 |
| Reduction (functional) | = 97 % | Antiviral activity against varicella-zoster virus (VV) in human foreskin cell cultures in virus plaque reduction assay at 32 microM | ChEMBL. | 2822928 |
| Reduction (functional) | = 100 % | Antiviral activity against varicella-zoster virus (VV) in human foreskin cell cultures in virus plaque reduction assay at 320 microM | ChEMBL. | 2822928 |
| Relative activity (functional) | 0 | Tested for contraction of guinea pig vas deferens at 37 degree C; Not active | ChEMBL. | 8254622 |
| Relative activity (functional) | 0 | Tested for contraction of guinea pig isolated urinary bladder detrussor muscle at 37 degree C; Not active | ChEMBL. | 8254622 |
| Relative activity (functional) | = 3.9 | Tested for relaxation of carbachol-contracted guinea pig taenia coli at 37 degree C; Significantly less potent than ATP | ChEMBL. | 8254622 |
| Relative activity (functional) | = 5.7 | Tested for relaxation of carbachol-contracted rabbit mesenteric artery at 37 degree C; More potent than or equal to 2MeSATP | ChEMBL. | 8254622 |
| Relative activity (functional) | = 6 | Tested for relaxation of carbachol-contracted rabbit mesenteric artery at 37 degree C; Potency equal to 2MeSATP | ChEMBL. | 8254622 |
| Relative activity (functional) | 0 % | Tested for contraction of rabbit saphenous artery produced by 1 microM alpha,beta-MeATP at 37 degree C; Not active | ChEMBL. | 8254622 |
| Relative Vmax (binding) | = 1 | Maximum velocity(Vmax) of the compound was determined by competitive inhibition of Adenosine deaminase | ChEMBL. | 7473592 |
| Relative Vmax (binding) | = 100 | Kinetic constant (relative Vmax) for the deamination of compound by adenosine deaminase | ChEMBL. | 10673097 |
| Selectivity index (functional) | = 16.3 | Ratio of minimum toxic compound concentration to inhibitory dose against vaccinia viral strain Lederle CA in vero cell line | ChEMBL. | 2544721 |
| Selectivity index (functional) | = 17.9 | Ratio of minimum toxic compound concentration to inhibitory dose against vaccinia viral strain Lederle CA in vero cell line | ChEMBL. | 2544721 |
| Selectivity index (functional) | = 32.2 | Ratio of minimum toxic compound concentration to inhibitory dose against vaccinia viral strain Lederle CA in vero cell line | ChEMBL. | 2544721 |
| Solubility in water | = 0.4 mg ml-1 | Solubility was determined with phosphate buffer (0.10M, 5 mL). | ChEMBL. | 7473592 |
| Survival (functional) | = 0 % | Protective effects against lethal injections of D-galactosamine sensitized Lipopolysaccharide challenged (LD100) CF1 mice (100 mg/kg IP in PBS) | ChEMBL. | 8691460 |
| Survival (functional) | = 0 % | D-galactosamine sensitized mice were given 3 times the LD100 dose of LPS (100 mg/kg IP in PBS) | ChEMBL. | 8691460 |
| Survival rate (functional) | = 3 | Survival rate at 20th day expressed as number of mice survived infected with HSV-2; out of 10 | ChEMBL. | 3585910 |
| Survival rate (functional) | = 4 | Survival rate at 20th day expressed as number of mice survived infected with HSV-1; out of 10 | ChEMBL. | 3585910 |
| T1/2 (ADMET) | = 0.04 hr | In vitro biotransformation of compound in mice liver homogenate 9-(beta-D-arabinifuranosyl)-6-azidopurine(6-AAP) analyte | ChEMBL. | 8978848 |
| T1/2 (ADMET) | = 0.07 hr | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered intravenouusly in serum | ChEMBL. | 8978848 |
| T1/2 (ADMET) | = 0.45 hr | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered orally in serum | ChEMBL. | 8978848 |
| T1/2 (ADMET) | = 0.89 hr | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered intravenouuslyin serum | ChEMBL. | 8978848 |
| T1/2 (ADMET) | = 1.47 hr | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered intravenouusly in brain | ChEMBL. | 8978848 |
| T1/2 (ADMET) | = 2.24 hr | In vitro biotransformation of compound in mice liver homogenate 9-(beta-D-arabinifuranosyl)adenine(ara-H) analyte | ChEMBL. | 8978848 |
| T1/2 (ADMET) | = 5.03 hr | Pharmacokinetic parameter of the compound after dosing of 100 mg/kg of compound administered orally in brain | ChEMBL. | 8978848 |
| T1/2 (ADMET) | = 0.5 min | Ability of the compound to get deaminated by adenosine deaminase (ADA); Expressed as t1/2 | ChEMBL. | 15189036 |
| T1/2 (ADMET) | = 0.5 min | Half life value of the compound | ChEMBL. | 12383014 |
| T1/2 (ADMET) | = 25 s | Half life of the compound was determined. | ChEMBL. | 11882000 |
| TD50 (ADMET) | = 10 ug ml-1 | Toxic dose that reduced by 50% the number of cells with respect to untreated controls. | ChEMBL. | 2213836 |
| Virus rating (functional) | = 1.2 | Invitro antiviral activity against vaccinia virus (strain Lederle chorioallantoic) grown in mouse fibroblasts cells, clone L-929, expressed as VR | ChEMBL. | 7097716 |
| Virus rating (functional) | = 1.2 | Virus rating is measurement of degree of inhibition of virus-induced cytopathogenic effects and the degree of cytotoxicity produced by the test compound for Herpes simplex virus (HSV) -2 | ChEMBL. | 3033247 |
| Virus rating (functional) | = 1.6 | Compound was evaluated in vitro for antiviral activity in secondary cultures of rabbit kidney cells against HSV type 2 strain MS; 1.6-2.3 | ChEMBL. | 6092635 |
| Virus rating (functional) | = 2.3 | The compound was tested in vitro for anti viral activity against Herpes simplex virus type 2 (strain MS) | ChEMBL. | 2822928 |
| Virus rating (functional) | = 2.3 | Antiviral activity of the compound against herpes simplex virus(2) strain MS expressed as virus rating | ChEMBL. | 6298423 |
| Virus rating (functional) | = 2.5 | Compound was evaluated in vitro for antiviral activity in secondary cultures of rabbit kidney cells against HSV type 1 strain 377; 2.5-3.1 | ChEMBL. | 6092635 |
| Virus rating (functional) | = 2.7 | Antiviral activity of the compound against herpes simplex virus(1) strain 377, expressed as virus rating | ChEMBL. | 6298423 |
| Virus rating (functional) | = 3.1 | The compound was tested in vitro for anti viral activity against Herpes simplex virus type 1 (strain 377) | ChEMBL. | 2822928 |
| Virus rating (functional) | = 3.2 | In vitro antiviral activity against herpes simplex virus type 1 (strain E-377) grown in mouse fibroblasts cells, clone L-929, expressed as virus rationg (VR) | ChEMBL. | 7097716 |
| Virus rating (functional) | = 3.7 | Inhibitory activity against herpes simplex virus type 1 grown in L929 cells | ChEMBL. | 6283083 |
| Virus rating (functional) | = 2.2 VR | In vitro inhibition of cytopathogenicity induced by HF strain of Herpes Simplex Virus (HSV-1) replicating in human epidermoid carcinoma no.2 (H.Ep-2) cells | ChEMBL. | 6325694 |
| Virus yield (functional) | < 1.6 log pfu ml-1 | Inhibitory effect of the compound on 196 strain of Herper simplex virus-2 yield, in primary rabbit kidney cell culture 40 ug/mL concentration after 24 hours. | ChEMBL. | 3585910 |
| Virus yield (functional) | = 3 log pfu ml-1 | Inhibitory effect of the compound on KOS strain of Herper simplex virus-1 yield, in primary rabbit kidney cell culture at 40 ug/mL concentration after 24 hours | ChEMBL. | 3585910 |
| Virus yield (functional) | = 4.3 log pfu ml-1 | Inhibitory effect of the compound on 196 strain of Herper simplex virus-2 yield, in primary rabbit kidney cell culture 40 ug/mL concentration after 48 hours. | ChEMBL. | 3585910 |
| Virus yield (functional) | = 4.7 log pfu ml-1 | Inhibitory effect of the compound on 196 strain of Herper simplex virus-2 yield, in primary rabbit kidney cell culture 10 ug/mL concentration after 24 hours. | ChEMBL. | 3585910 |
| Virus yield (functional) | = 5 log pfu ml-1 | Inhibitory effect of the compound on 196 strain of Herper simplex virus-2 yield, in primary rabbit kidney cell culture 4 ug/mL concentration after 24 hours. | ChEMBL. | 3585910 |
| Virus yield (functional) | = 5.2 log pfu ml-1 | Inhibitory effect of the compound on 196 strain of Herper simplex virus-2 yield, in primary rabbit kidney cell culture 10 ug/mL concentration after 48 hours. | ChEMBL. | 3585910 |
| Virus yield (functional) | = 5.5 log pfu ml-1 | Inhibitory effect of the compound on KOS strain of Herper simplex virus-1 yield, in primary rabbit kidney cell culture 40 ug/mL concentrationafter 48 hours. | ChEMBL. | 3585910 |
| Virus yield (functional) | = 5.7 log pfu ml-1 | Inhibitory effect of the compound on KOS strain of Herper simplex virus-1 yield, in primary rabbit kidney cell culture at 10 ug/mL concentration after 24 hours | ChEMBL. | 3585910 |
| Virus yield (functional) | = 5.7 log pfu ml-1 | Inhibitory effect of the compound on 196 strain of Herper simplex virus-2 yield, in primary rabbit kidney cell culture 4 ug/mL concentration after 48 hours. | ChEMBL. | 3585910 |
| Virus yield (functional) | = 6.7 log pfu ml-1 | Inhibitory effect of the compound on KOS strain of Herper simplex virus-1 yield, in primary rabbit kidney cell culture at 4 ug/mL concentration after 24 hours | ChEMBL. | 3585910 |
| Virus yield (functional) | = 6.8 log pfu ml-1 | Inhibitory effect of the compound on KOS strain of Herper simplex virus-1 yield, in primary rabbit kidney cell culture 10 ug/mL concentrationafter 48 hours. | ChEMBL. | 3585910 |
| Virus yield (functional) | = 6.8 log pfu ml-1 | Inhibitory effect of the compound on KOS strain of Herper simplex virus-1 yield, in primary rabbit kidney cell culture 4 ug/mL concentrationafter 48 hours. | ChEMBL. | 3585910 |
| Vmax (ADMET) | = 31400 c.p.m. | Vmax value of the compound was determined | ChEMBL. | 2165159 |
| Vmax (binding) | = 435 M min-1 mg-1 | Kinetic parameter was determined against adenosine deaminase expressed as Vmax | ChEMBL. | 4068000 |
| Vmax (binding) | = 289 uM min-1 (mg of protein)-1 | Kinetic constant (Vmax) for the deamination of compound by adenosine deaminase | ChEMBL. | 10673097 |
| Vmax (ADMET) | = 94 uM min-1 mg-1 | Kinetic parameter of the compound in calf intestine adenosine deaminase. | ChEMBL. | 6620307 |
| Vmax (binding) | = 0.76 uM min-1 unit-1 | Vmax of the compound for Calf intestinal mucosa adenosine deaminase was determined | ChEMBL. | No reference |
| VR (functional) | = 0.9 | Antiviral activity is expressed as virus rating (VR) against the HSV-2 MS strain | ChEMBL. | 3035178 |
| VR (functional) | = 1.2 | Compound was evaluated for antiviral activity against Herpes Simplex Virus (HSV-2 strain MS) in vero cells in exp. No. 3 | ChEMBL. | 3001308 |
| VR (functional) | = 1.3 | Compound was evaluated for antiviral activity against Herpes Simplex Virus (HSV-2 strain MS) in vero cells in exp. No. 2 | ChEMBL. | 3001308 |
| VR (functional) | = 1.4 | Compound was evaluated for antiviral activity against HSV-2 reported as virus rating | ChEMBL. | 3027333 |
| VR (functional) | = 1.7 | Compound was evaluated for antiviral activity against Herpes Simplex Virus (HSV-2 strain MS) in vero cells in exp. No. 1 | ChEMBL. | 3001308 |
| VR (functional) | = 2 | Antiviral activity is expressed as virus rating (VR) against the HSV-1 377 strain | ChEMBL. | 3035178 |
| VR (functional) | = 2 | Compound was evaluated for antiviral activity against Herpes Simplex Virus (HSV-1 strain 377) in vero cells in exp. No. 2 | ChEMBL. | 3001308 |
| VR (functional) | = 2 | Compound was evaluated for antiviral activity against HSV-1 reported as virus rating | ChEMBL. | 3027333 |
| VR (functional) | = 2.1 | Antiviral activity is expressed as virus rating (VR) against the HSV-1 377 strain | ChEMBL. | 3035178 |
| VR (functional) | = 2.1 | Compound was evaluated for antiviral activity against Herpes Simplex Virus (HSV-1 strain 377) in vero cells in exp. No. 1 | ChEMBL. | 3001308 |
| VR (functional) | = 2.4 | Antiviral activity is expressed as virus rating (VR) against the HSV-1 HF strain | ChEMBL. | 3035178 |
| VR (functional) | = 2.4 | Compound was evaluated for antiviral activity against Herpes Simplex Virus (HSV-1 strain 377) in vero cells in exp. No. 3 | ChEMBL. | 3001308 |
| VR (functional) | = 2.5 | Virus rating (VR) which is the weighted measurement of in vitro antiviral activity, based on the inhibition of virus-induced cytopathogenic effects. VR > 1, active. | ChEMBL. | 6312045 |
| VR (functional) | = 3.6 | Viral rating activity of the compound against vaccinia viral strain Lederle CA in vero cell line | ChEMBL. | 2544721 |
| VR (functional) | = 3.7 | Viral rating activity of the compound against vaccinia viral strain Lederle CA in vero cell line | ChEMBL. | 2544721 |
| VR (functional) | = 4.2 | Viral rating activity of the compound against vaccinia viral strain Lederle CA in vero cell line | ChEMBL. | 2544721 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
| Affected Entity | Phenotypic quality | Occurs in | Occurs at | Evidence | Observed in | Targets |
|---|---|---|---|---|---|---|
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from in-silico analysis (ECO:0000043) | Leishmania mexicana | 28592 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 73340-78-0P; Drug: 158555-06-7; Drug: 158555-07-8; Drug: 158555-08-9; Drug: 158555-09-0. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 7932587 | |
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from in-silico analysis (ECO:0000043) | Leishmania mexicana | 26942 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 73340-78-0P; Drug: 158555-06-7; Drug: 158555-07-8; Drug: 158555-08-9; Drug: 158555-09-0. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 7932587 | |
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from specific protein inhibition (ECO:0000020) | Leishmania mexicana | 28592 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 73340-78-0P; Drug: 158555-06-7; Drug: 158555-07-8; Drug: 158555-08-9; Drug: 158555-09-0. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 7932587 | |
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from specific protein inhibition (ECO:0000020) | Leishmania mexicana | 26942 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 73340-78-0P; Drug: 158555-06-7; Drug: 158555-07-8; Drug: 158555-08-9; Drug: 158555-09-0. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 7932587 | |
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from in-silico analysis (ECO:0000043) | Leishmania mexicana | 28592 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 4546-55-8; Drug: 158555-06-7; Drug: 13389-15-6; Drug: 15262-12-1; Drug: 65456-83-9; Drug: 65456-85-1; Drug: 65456-86-2; Drug: 102029-71-0; Drug: 220522-93-0; Drug: 220522-94-1; Drug: 220522-95-2; Drug: 220522-96-3; Drug: 220522-97-4; Drug: 220522-98-5; Drug: 220522-99-6; Drug: 220523-00-2; Drug: 220523-01-3; Drug: 220523-02-4; Drug: 220523-03-5; Drug: 220523-04-6; Drug: 220523-05-7; Drug: 220523-06-8; Drug: 220523-07-9. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 9934461 | |
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from in-silico analysis (ECO:0000043) | Leishmania mexicana | 26942 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 4546-55-8; Drug: 158555-06-7; Drug: 13389-15-6; Drug: 15262-12-1; Drug: 65456-83-9; Drug: 65456-85-1; Drug: 65456-86-2; Drug: 102029-71-0; Drug: 220522-93-0; Drug: 220522-94-1; Drug: 220522-95-2; Drug: 220522-96-3; Drug: 220522-97-4; Drug: 220522-98-5; Drug: 220522-99-6; Drug: 220523-00-2; Drug: 220523-01-3; Drug: 220523-02-4; Drug: 220523-03-5; Drug: 220523-04-6; Drug: 220523-05-7; Drug: 220523-06-8; Drug: 220523-07-9. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 9934461 | |
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from specific protein inhibition (ECO:0000020) | Leishmania mexicana | 28592 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 4546-55-8; Drug: 158555-06-7; Drug: 13389-15-6; Drug: 15262-12-1; Drug: 65456-83-9; Drug: 65456-85-1; Drug: 65456-86-2; Drug: 102029-71-0; Drug: 220522-93-0; Drug: 220522-94-1; Drug: 220522-95-2; Drug: 220522-96-3; Drug: 220522-97-4; Drug: 220522-98-5; Drug: 220522-99-6; Drug: 220523-00-2; Drug: 220523-01-3; Drug: 220523-02-4; Drug: 220523-03-5; Drug: 220523-04-6; Drug: 220523-05-7; Drug: 220523-06-8; Drug: 220523-07-9. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 9934461 | |
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from specific protein inhibition (ECO:0000020) | Leishmania mexicana | 26942 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 4546-55-8; Drug: 158555-06-7; Drug: 13389-15-6; Drug: 15262-12-1; Drug: 65456-83-9; Drug: 65456-85-1; Drug: 65456-86-2; Drug: 102029-71-0; Drug: 220522-93-0; Drug: 220522-94-1; Drug: 220522-95-2; Drug: 220522-96-3; Drug: 220522-97-4; Drug: 220522-98-5; Drug: 220522-99-6; Drug: 220523-00-2; Drug: 220523-01-3; Drug: 220523-02-4; Drug: 220523-03-5; Drug: 220523-04-6; Drug: 220523-05-7; Drug: 220523-06-8; Drug: 220523-07-9. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 9934461 | |
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from in-silico analysis (ECO:0000043) | Leishmania mexicana | 28592 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 171502-19-5; Drug: 239100-12-0; Drug: 239100-15-3; Drug: 350232-85-8; Drug: 350232-87-0; Drug: 350232-89-2; Drug: 350232-91-6; Drug: 350232-95-0; Drug: 350232-97-2; Drug: 350232-99-4; Drug: 350233-01-1; Drug: 350233-03-3; Drug: 350233-05-5; Drug: 350233-07-7; Drug: 350233-09-9; Drug: 350233-11-3; Drug: 350233-13-5; Drug: 350233-15-7; Drug: 350233-17-9; Drug: 350233-19-1; Drug: 350233-21-5; Drug: 350233-23-7; Drug: 350233-25-9; Drug: 350233-27-1; Drug: 350233-29-3; Drug: 350233-32-8; Drug: 350233-34-0; Drug: 350233-37-3; Drug: 350233-39-5; Drug: 350233-41-9; Drug: 350233-43-1; Drug: 350233-45-3; Drug: 350233-47-5; Drug: 350233-49-7; Drug: 350233-51-1; Drug: 350233-53-3; Drug: 350233-55-5; Drug: 350233-57-7; Drug: 350233-59-9; Drug: 350233-61-3; Drug: 350233-63-5; Drug: 350233-65-7; Drug: 350233-67-9; Drug: 350233-69-1; Drug: 350233-71-5; Drug: 350233-73-7; Drug: 350233-75-9; Drug: 350233-77-1; Drug: 350233-79-3; Drug: 350233-82-8; Drug: 350233-84-0; Drug: 350233-86-2; Drug: 350233-88-4. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 11405646 | |
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from in-silico analysis (ECO:0000043) | Leishmania mexicana | 26942 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 171502-19-5; Drug: 239100-12-0; Drug: 239100-15-3; Drug: 350232-85-8; Drug: 350232-87-0; Drug: 350232-89-2; Drug: 350232-91-6; Drug: 350232-95-0; Drug: 350232-97-2; Drug: 350232-99-4; Drug: 350233-01-1; Drug: 350233-03-3; Drug: 350233-05-5; Drug: 350233-07-7; Drug: 350233-09-9; Drug: 350233-11-3; Drug: 350233-13-5; Drug: 350233-15-7; Drug: 350233-17-9; Drug: 350233-19-1; Drug: 350233-21-5; Drug: 350233-23-7; Drug: 350233-25-9; Drug: 350233-27-1; Drug: 350233-29-3; Drug: 350233-32-8; Drug: 350233-34-0; Drug: 350233-37-3; Drug: 350233-39-5; Drug: 350233-41-9; Drug: 350233-43-1; Drug: 350233-45-3; Drug: 350233-47-5; Drug: 350233-49-7; Drug: 350233-51-1; Drug: 350233-53-3; Drug: 350233-55-5; Drug: 350233-57-7; Drug: 350233-59-9; Drug: 350233-61-3; Drug: 350233-63-5; Drug: 350233-65-7; Drug: 350233-67-9; Drug: 350233-69-1; Drug: 350233-71-5; Drug: 350233-73-7; Drug: 350233-75-9; Drug: 350233-77-1; Drug: 350233-79-3; Drug: 350233-82-8; Drug: 350233-84-0; Drug: 350233-86-2; Drug: 350233-88-4. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 11405646 | |
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from specific protein inhibition (ECO:0000020) | Leishmania mexicana | 28592 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 171502-19-5; Drug: 239100-12-0; Drug: 239100-15-3; Drug: 350232-85-8; Drug: 350232-87-0; Drug: 350232-89-2; Drug: 350232-91-6; Drug: 350232-95-0; Drug: 350232-97-2; Drug: 350232-99-4; Drug: 350233-01-1; Drug: 350233-03-3; Drug: 350233-05-5; Drug: 350233-07-7; Drug: 350233-09-9; Drug: 350233-11-3; Drug: 350233-13-5; Drug: 350233-15-7; Drug: 350233-17-9; Drug: 350233-19-1; Drug: 350233-21-5; Drug: 350233-23-7; Drug: 350233-25-9; Drug: 350233-27-1; Drug: 350233-29-3; Drug: 350233-32-8; Drug: 350233-34-0; Drug: 350233-37-3; Drug: 350233-39-5; Drug: 350233-41-9; Drug: 350233-43-1; Drug: 350233-45-3; Drug: 350233-47-5; Drug: 350233-49-7; Drug: 350233-51-1; Drug: 350233-53-3; Drug: 350233-55-5; Drug: 350233-57-7; Drug: 350233-59-9; Drug: 350233-61-3; Drug: 350233-63-5; Drug: 350233-65-7; Drug: 350233-67-9; Drug: 350233-69-1; Drug: 350233-71-5; Drug: 350233-73-7; Drug: 350233-75-9; Drug: 350233-77-1; Drug: 350233-79-3; Drug: 350233-82-8; Drug: 350233-84-0; Drug: 350233-86-2; Drug: 350233-88-4. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 11405646 | |
| catalytic activity (GO:0003824) | decreased (PATO:0000468) | in vitro (MI:0492) | inferred from specific protein inhibition (ECO:0000020) | Leishmania mexicana | 26942 | |
| Annotator: | aaronjr@u.washington.edu | Comment: | Drug: 171502-19-5; Drug: 239100-12-0; Drug: 239100-15-3; Drug: 350232-85-8; Drug: 350232-87-0; Drug: 350232-89-2; Drug: 350232-91-6; Drug: 350232-95-0; Drug: 350232-97-2; Drug: 350232-99-4; Drug: 350233-01-1; Drug: 350233-03-3; Drug: 350233-05-5; Drug: 350233-07-7; Drug: 350233-09-9; Drug: 350233-11-3; Drug: 350233-13-5; Drug: 350233-15-7; Drug: 350233-17-9; Drug: 350233-19-1; Drug: 350233-21-5; Drug: 350233-23-7; Drug: 350233-25-9; Drug: 350233-27-1; Drug: 350233-29-3; Drug: 350233-32-8; Drug: 350233-34-0; Drug: 350233-37-3; Drug: 350233-39-5; Drug: 350233-41-9; Drug: 350233-43-1; Drug: 350233-45-3; Drug: 350233-47-5; Drug: 350233-49-7; Drug: 350233-51-1; Drug: 350233-53-3; Drug: 350233-55-5; Drug: 350233-57-7; Drug: 350233-59-9; Drug: 350233-61-3; Drug: 350233-63-5; Drug: 350233-65-7; Drug: 350233-67-9; Drug: 350233-69-1; Drug: 350233-71-5; Drug: 350233-73-7; Drug: 350233-75-9; Drug: 350233-77-1; Drug: 350233-79-3; Drug: 350233-82-8; Drug: 350233-84-0; Drug: 350233-86-2; Drug: 350233-88-4. chemical inhibition with designed inhibitors leads to reduced enzyme activity in vitro; | References: | 11405646 | |
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
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Bibliographic References
350 literature references were collected for this gene.
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