Detailed information for compound 11809
Basic information
Technical information
- Name: Unnamed compound
- MW: 331.346 | Formula: C15H13N3O4S
-
H donors: 2
H acceptors: 5
LogP: 1.43
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ccccn1
- InChi: 1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
- InChiKey: QYSPLQLAKJAUJT-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Plasmodium vivax | adenosine deaminase, putative | 0.00947613 | 0.0517259 | 0.5 |
| Mycobacterium tuberculosis | Probable adenosine deaminase Add (adenosine aminohydrolase) | 0.00947613 | 0.0517259 | 0.5 |
| Echinococcus granulosus | adenosine deaminase | 0.00947613 | 0.0517259 | 0.0517259 |
| Echinococcus multilocularis | adenosine deaminase | 0.00947613 | 0.0517259 | 1 |
| Onchocerca volvulus | Adenosine deaminase homolog | 0.00947613 | 0.0517259 | 1 |
| Toxoplasma gondii | Adenosine/AMP deaminase domain-containing protein | 0.00947613 | 0.0517259 | 0.5 |
| Echinococcus granulosus | Solute carrier family 22 5 | 0.125 | 1 | 1 |
| Entamoeba histolytica | adenosine deaminase, putative | 0.00947613 | 0.0517259 | 0.5 |
| Mycobacterium leprae | Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) | 0.00947613 | 0.0517259 | 0.5 |
| Toxoplasma gondii | Adenosine/AMP deaminase domain-containing protein | 0.00947613 | 0.0517259 | 0.5 |
| Trichomonas vaginalis | adenosine deaminase, putative | 0.00947613 | 0.0517259 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.00647809 | 0.0271166 | 0.524236 |
| Treponema pallidum | adenosine deaminase | 0.00947613 | 0.0517259 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.00647809 | 0.0271166 | 0.524236 |
| Plasmodium falciparum | adenosine deaminase | 0.00947613 | 0.0517259 | 0.5 |
| Trichomonas vaginalis | adenosine deaminase, putative | 0.00947613 | 0.0517259 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.00647809 | 0.0271166 | 0.524236 |
| Loa Loa (eye worm) | hypothetical protein | 0.00947613 | 0.0517259 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00647809 | 0.0271166 | 0.524236 |
| Mycobacterium ulcerans | adenosine deaminase | 0.00947613 | 0.0517259 | 0.5 |
| Schistosoma mansoni | adenosine deaminase | 0.00947613 | 0.0517259 | 1 |
| Entamoeba histolytica | adenosine deaminase, putative | 0.00947613 | 0.0517259 | 0.5 |
| Schistosoma mansoni | adenosine deaminase-related | 0.00947613 | 0.0517259 | 1 |
| Brugia malayi | Adenosine/AMP deaminase family protein | 0.00947613 | 0.0517259 | 1 |
| Leishmania major | adenine aminohydrolase | 0.00947613 | 0.0517259 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| % absorbed (ADMET) | = 100 % | % absorbed in human GI-tract | ChEMBL. | 11300874 |
| % absorbed (ADMET) | = 100 % | % absorbed in human GI-tract | ChEMBL. | 11300874 |
| 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 | |
| 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-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-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | = 3.981071706 uM | 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) | = 6.309573445 uM | 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) | = 12.58925412 uM | 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) | = 19.95262315 uM | 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) | = 25.11886432 uM | 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) | TP_TRANSPORTER: inhibition of E1S uptake (E1S: 40 uM, Piroxicam: 1000 uM) in Xenopus laevis oocytes | ChEMBL. | 10224140 | |
| Activity (functional) | TP_TRANSPORTER: inhibition of Ochratoxin A uptake (OTA: 1 uM, Piroxicam: 1000 uM) in Xenopus laevis oocytes | ChEMBL. | 10336520 | |
| Activity (functional) | = 2.2 | Antinociceptive activity against acetic acid-induced writhing in NMRI mouse assessed as number of stretches at 5 mg/kg, ip by writhing test | ChEMBL. | 19261477 |
| Activity (functional) | 0 | Compound is evaluated for gastric ulceration in rats at a dose of 100 mg/kg ; NT means not tested | ChEMBL. | 3118023 |
| Activity (functional) | = 1 | Compound is evaluated for gastric ulceration in rats at a dose of 3 mg/kg. ; 1 out of 6 is lesioned | ChEMBL. | 3118023 |
| Activity (functional) | = 5 | Compound is evaluated for gastric ulceration in rats at a dose of 10 mg/kg. ; 5 out of 12 is lesioned | ChEMBL. | 3118023 |
| Activity (functional) | = 7 | Compound is evaluated for gastric ulceration in rats at a dose of 30 mg/kg. ; 7 out of 12 is lesioned | ChEMBL. | 3118023 |
| Activity (ADMET) | = 1 % | Human intestinal absorption in po dosed human | ChEMBL. | 20022146 |
| Activity (ADMET) | = 6.7 % | Displacement of radiolabeled warfarin from fatty acid-free human serum albumin site 1 in phosphate buffer at pH 7.4 at 12 uM by fluorescence spectroscopy | ChEMBL. | 20869876 |
| Activity (ADMET) | = 7.2 % | Membrane retention in 70% silicon-30% IPM membrane | ChEMBL. | 16789751 |
| Activity (binding) | = 11 % | Increase in COX-1 (unknown origin) enzyme activity using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition in presence of TMPD by spectrophotometric analysis relative to control | LITERATURE. | 27842798 |
| Activity (ADMET) | = 37.7 % | Membrane permeability, CA(t)/CD(0) in 70% silicon-30% IPM membrane | ChEMBL. | 16789751 |
| Activity (functional) | = 40.9 % | TP_TRANSPORTER: inhibition of MTX uptake (MTX: 1 uM, Piroxicam: 1000 uM) in OAT1-expressing S2 cells | ChEMBL. | 12130730 |
| Activity (ADMET) | = 44.8 % | Displacement of radiolabeled dansylsarcosine from fatty acid containing human serum albumin site 2 in phosphate buffer at pH 7.4 at 12 uM by fluorescence spectroscopy | ChEMBL. | 20869876 |
| Activity (ADMET) | = 45.5 % | Displacement of radiolabeled dansylsarcosine from fatty acid-free human serum albumin site 2 in phosphate buffer at pH 7.4 at 12 uM by fluorescence spectroscopy | ChEMBL. | 20869876 |
| Activity (ADMET) | = 53.5 % | Displacement of radiolabeled warfarin from fatty acid containing human serum albumin site 1 in phosphate buffer at pH 7.4 at 12 uM by fluorescence spectroscopy | ChEMBL. | 20869876 |
| Activity (functional) | = 62 % | TP_TRANSPORTER: inhibition of MTX uptake (MTX: 1 uM, Piroxicam: 1000 uM) in OAT4-expressing S2 cells | ChEMBL. | 12130730 |
| Activity (binding) | = 100 % | Effect on human MRP2-mediated estradiol-17-beta-glucuronide transport in Sf9 cells inverted membrane vesicles relative to control | ChEMBL. | 18457386 |
| Antibody titer (functional) | = 12.2 | Antiinflammatory activity by immune response to collagen II antigen in rats antibody titer was determined by passive hemagglutination | ChEMBL. | 3086558 |
| cLogP | ND 0 | ClogP value of the compound; nd ='no data' | ChEMBL. | 9836611 |
| DTH (functional) | = 0.0526 mM | Delayed Type hypersensitivity(DTH) is measured by increase in ear thickness 24 hours after antigen injection into pinna | ChEMBL. | 3086558 |
| ED100 (functional) | = 4 mg kg-1 | Anti-inflammatory activity was assessed by estimating threshold pain response after oral administration to rats | ChEMBL. | 3494124 |
| ED100 (functional) | = 9 mg kg-1 | Ulcerogenic effect after oral administration (gastric ulcer) | ChEMBL. | 3133478 |
| ED100 (functional) | = 20 mg kg-1 | Ulcerogenic effect after oral administration (intestinal ulcer) | ChEMBL. | 3133478 |
| ED30 (functional) | = 0.6 mg kg-1 | Antiinflammatory activity was evaluated in rat carrageenin foot edema assay in experiment 1 | ChEMBL. | 3118023 |
| ED30 (functional) | = 0.9 mg kg-1 | Antiinflammatory activity was evaluated in rat carrageenin foot edema assay in experiment 2 | ChEMBL. | 3118023 |
| ED30 (functional) | = 1.9 mg kg-1 | Anti-inflammatory activity was assessed by estimating kaolin-induced edema in rat hind paw, by administering orally | ChEMBL. | 3494124 |
| ED30 (functional) | = 2.6 mg kg-1 | Antiinflammatory activity was evaluated in rat carrageenin foot edema assay in experiment 3 | ChEMBL. | 3118023 |
| ED40 (functional) | = 8 mg kg-1 | Antiinflammatory activity against carrageenin-induced foot edema in rat after peroral administration | ChEMBL. | 3133478 |
| ED50 (functional) | = 4.5 | Antiinflammatory activity in the rat foot edema at the dose of 0.32-10 mg/kg po | ChEMBL. | 2113951 |
| ED50 (functional) | = 0.15 mg kg-1 | Effective dose was determined in vivo in male lewis rats by rat adjuvant-induced arthritis assay | ChEMBL. | 9135032 |
| ED50 (functional) | = 0.35 mg kg-1 | Dose causing an analgesic effect in 50% of rats (Randall-Selitto assay) | ChEMBL. | 3373493 |
| ED50 (functional) | = 0.5 mg kg-1 | Ulcerogenic potential was assessed in a rat model by the enhancement of stress-induced gastric mucosal lesions after oral administration | ChEMBL. | 3494124 |
| ED50 (functional) | = 0.8 mg kg-1 | Anti-arthritis activity against adjuvant-induced arthritis in rats after peroral administration | ChEMBL. | 3133478 |
| ED50 (functional) | = 1 mg kg-1 | Analgesic activity was evaluated in the rat flection pain test | ChEMBL. | 3118023 |
| ED50 (functional) | = 1.3 mg kg-1 | Dose causing 50% inhibition of edema by carrageenan paw edema assay. | ChEMBL. | 3373493 |
| ED50 (functional) | = 2.4 mg kg-1 | Effective dose was determined in vivo in male Dawley rats by rat carrageenan-induced foot pad edema assay | ChEMBL. | 9135032 |
| ED50 (functional) | = 3.3 mg kg-1 | Analgesic activity against acetic acid induced writhing test in mouse after peroral administration | ChEMBL. | 3133478 |
| ED50 (functional) | = 3.3 mg kg-1 | Analgesic activity against acetic acid induced writhing test in mouse after peroral administration | ChEMBL. | 3133478 |
| ED50 (functional) | = 3.4 mg kg-1 | Dose causing 50% inhibition of writhing in mouse (PBQ writhing test) | ChEMBL. | 3373493 |
| ED50 (functional) | = 3.4 mg kg-1 | Dose causing 50% inhibition of writhing in mouse (PBQ writhing test) | ChEMBL. | 3373493 |
| ED50 (functional) | = 3.5 mg kg-1 | Compound was tested in vivo for antiinflammatory activity against rats by RPAR(reverse passive Arthus reaction) synovitis method | ChEMBL. | 3086558 |
| ED50 (functional) | = 0.15 MPK | Inhibitory activity in the adjuvant induced arthritis model of chronic inflammation in rat | ChEMBL. | 9171873 |
| ED50 (functional) | = 0.15 MPK | Inhibitory activity in the adjuvant induced arthritis model of chronic inflammation in rat | ChEMBL. | 9171873 |
| ED50 (functional) | = 1.3 uM | In vivo effective dose required for antiinflammatory activity in rat adjuvant arthritis model | ChEMBL. | 7562922 |
| Edema density (functional) | = 0.15 | Compound was evaluated for edema density in adjuvant-induced arthritis model in rats at a dose of 3 mg/kg (Experiment # 2) | ChEMBL. | 3118023 |
| Edema density (functional) | = 0.24 | Compound was evaluated for edema density in adjuvant-induced arthritis model in rats at a dose of 1 mg/kg (Experiment # 2) | ChEMBL. | 3118023 |
| F (ADMET) | = 100 % | Oral bioavailability in human | ChEMBL. | 17870541 |
| F (ADMET) | = 100 % | Oral bioavailability in human | ChEMBL. | 17870541 |
| F (ADMET) | = 100 % | Oral bioavailability in human | ChEMBL. | 19947605 |
| F (ADMET) | = 100 % | Absolute bioavailability in human | ChEMBL. | 20373811 |
| FC (binding) | = 1.92 | Activity at PPARgamma in human Caco-2 cells assessed as luciferase activity at 1000 uM relative to control | ChEMBL. | 18222570 |
| 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 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 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 HL-60(TB) Leukemia 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 DU-145 Prostate 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 MALME-3M Melanoma 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 |
| IC50 (binding) | DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| IC50 (functional) | Antimicrobial activity against Toxoplasma gondii | ChEMBL. | 20185316 | |
| IC50 (binding) | DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG) | ChEMBL. | No reference | |
| IC50 (functional) | Antimicrobial activity against Trypanosoma brucei rhodesiense | ChEMBL. | 20185316 | |
| IC50 (binding) | DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Chemokine CXCR1 (IL-8A) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| IC50 (functional) | Antimicrobial activity against Entamoeba histolytica | ChEMBL. | 20185316 | |
| IC50 (functional) | Antimicrobial activity against Cryptosporidium parvum | ChEMBL. | 20185316 | |
| IC50 (functional) | Antimicrobial activity against Leishmania major | ChEMBL. | 20185316 | |
| IC50 (binding) | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | ChEMBL. | No reference | |
| IC50 (functional) | Antimicrobial activity against Trichomonas vaginalis | ChEMBL. | 20185316 | |
| IC50 (binding) | DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) | ChEMBL. | No reference | |
| IC50 (functional) | Antimicrobial activity against Trypanosoma cruzi | ChEMBL. | 20185316 | |
| IC50 (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | ChEMBL. | No reference | |
| IC50 (functional) | Antimicrobial activity against Leishmania mexicana | ChEMBL. | 20185316 | |
| IC50 (binding) | DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | ChEMBL. | No reference | |
| IC50 (functional) | Antimicrobial activity against Trypanosoma brucei | ChEMBL. | 20185316 | |
| IC50 (binding) | DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin) | ChEMBL. | No reference | |
| IC50 (functional) | Antimicrobial activity against Leishmania donovani | ChEMBL. | 20185316 | |
| IC50 (binding) | DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| IC50 (functional) | Antimicrobial activity against Trypanosoma brucei brucei | ChEMBL. | 20185316 | |
| IC50 (binding) | DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin) | ChEMBL. | No reference | |
| IC50 (functional) | Antimicrobial activity against Plasmodium falciparum | ChEMBL. | 20185316 | |
| IC50 (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| IC50 (functional) | Antimicrobial activity against Leishmania infantum | ChEMBL. | 20185316 | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| IC50 (functional) | = -5 | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -5 | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -4.9 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (ADMET) | = 3 | Inhibition of CYP3A4 | ChEMBL. | 19128860 |
| IC50 (binding) | = 4.05 | Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD by spectrophotometric analysis relative to control | LITERATURE. | 27842798 |
| IC50 (binding) | = 4.07 | Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD by spectrophotometric analysis | LITERATURE. | 27842798 |
| IC50 (functional) | M | Compound is evaluated for inhibitory effect on the generation of Leukotriene B4 (LTB4) from human neutrophils ; NA means not active | ChEMBL. | 3118023 |
| IC50 (functional) | 0 M | Compound is evaluated for inhibitory effect on the generation of Leukotriene B4 (LTB4) from human neutrophils ; NA means not active | ChEMBL. | 3118023 |
| IC50 (functional) | = 0.0000001 M | Compound is evaluated for inhibitory effect on the generation of Prostaglandin E2 (PGE2) from rat synovial cells | ChEMBL. | 3118023 |
| IC50 (binding) | = 0.000065 M | Inhibition of bovine Prostaglandin G/H synthase after oral administration | ChEMBL. | 3133478 |
| IC50 (binding) | = 0.000065 M | Inhibition of bovine Prostaglandin G/H synthase after oral administration | ChEMBL. | 3133478 |
| IC50 (binding) | > 0.0001 M | Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administration | ChEMBL. | 3133478 |
| IC50 (binding) | > 0.0001 M | Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administration | ChEMBL. | 3133478 |
| IC50 (binding) | = 0.00046 M | Inhibition of Prostaglandin G/H synthase activity in sheep seminal vesicle was determined | ChEMBL. | 8254620 |
| IC50 (binding) | = 0.1 uM | In vitro inhibitory activity against Prostaglandin G/H synthase in rat neutrophils | ChEMBL. | 3086558 |
| IC50 (binding) | = 0.1 uM | In vitro inhibitory activity against Prostaglandin G/H synthase in rat neutrophils | ChEMBL. | 3086558 |
| IC50 (binding) | = 1.3 uM | Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production(''++'' indicates 80-90% inhibition) | ChEMBL. | 9083488 |
| IC50 (binding) | = 1.3 uM | Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production(''++'' indicates 80-90% inhibition) | ChEMBL. | 9083488 |
| IC50 (binding) | = 1.313 uM | DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) | ChEMBL. | No reference |
| IC50 (functional) | > 20 uM | Antiinflammatory activity in human THP1 cells assessed as inhibition of PMA-induced TNF-alpha secretion incubated for 2 hrs prior to PMA challenge measured after 48 hrs by ELISA | ChEMBL. | 24531227 |
| IC50 (functional) | = 20.5 uM | TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells | ChEMBL. | 10991954 |
| IC50 (binding) | = 21 uM | Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine | ChEMBL. | 7562922 |
| IC50 (binding) | = 21 uM | Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine | ChEMBL. | 7562922 |
| IC50 (functional) | = 21.33 uM | Antiinflammatory activity in human THP1 cells assessed as inhibition of PMA-induced IL-1beta secretion preincubated for 1 hr prior PMA-challenge measured after 48 hrs by ELISA | ChEMBL. | 23811092 |
| IC50 (ADMET) | > 50 uM | Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method | ChEMBL. | 23033255 |
| IC50 (binding) | = 102.8 uM | Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD by spectrophotometric analysis relative to control | LITERATURE. | 27842798 |
| IC50 (binding) | = 218 uM | Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human | ChEMBL. | 7562922 |
| IC50 (binding) | = 218 uM | Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human | ChEMBL. | 7562922 |
| IC50 (binding) | = 254.6 uM | Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD by spectrophotometric analysis | LITERATURE. | 27842798 |
| Imax (binding) | = 80 % | Highest percent inhibition against Prostaglandin G/H synthase 1 observed on IC50 curve ; Range 80-90% | ChEMBL. | 9083488 |
| Imax (binding) | = 80 % | Highest percent inhibition against Prostaglandin G/H synthase 1 observed on IC50 curve ; Range 80-90% | ChEMBL. | 9083488 |
| Inhibition (functional) | Antiinflammatory activity in BALB/C mouse assessed as inhibition of carrageenan-induced paw edema at 20 mg/kg, ip administered 30 mins before carrageenan challenge measured before 48 hrs by plethysmometer | ChEMBL. | 20729093 | |
| Inhibition (ADMET) | Inhibition of human CYP2C9 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 30 mins | ChEMBL. | 22931300 | |
| Inhibition (ADMET) | Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-benzyloxyquinoline as substrate after 30 mins | ChEMBL. | 22931300 | |
| Inhibition (binding) | Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated up to 6 mins followed by substrate addition in presence of TMPD by spectrophotometric analysis | LITERATURE. | 27842798 | |
| Inhibition (ADMET) | Inhibition of human CYP2D6 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 4-methylaminoethyl-7-methoxycoumarin as substrate after 30 mins | ChEMBL. | 22931300 | |
| Inhibition (ADMET) | Inhibition of human CYP1A2 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using ethoxyresorufin as substrate after 30 mins | ChEMBL. | 22931300 | |
| Inhibition (binding) | Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated with enzyme followed by substrate addition measured after 1 to 10 mins in presence of TMPD by spectrophotometric analysis | LITERATURE. | 27842798 | |
| Inhibition (ADMET) | Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using diethoxyfluorescein as substrate after 30 mins | ChEMBL. | 22931300 | |
| Inhibition (ADMET) | Inhibition of human CYP2C19 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 3-butyryl-7-methoxycoumarin as substrate after 30 mins | ChEMBL. | 22931300 | |
| Inhibition (binding) | Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 7 to 10 mins followed by substrate addition in presence of TMPD by spectrophotometric analysis | LITERATURE. | 27842798 | |
| Inhibition (functional) | = -56.9 % | Analgesic activity in Swiss albino mouse assessed as inhibition of acetic acid-induced abdominal constriction at 10 mg/kg, sc administered 30 mins prior to acetic acid challenge measured for 30 mins relative to control | ChEMBL. | 18433939 |
| Inhibition (binding) | = -7 % | Inhibition of human Prostaglandin G/H synthase 1 at 0.1 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (binding) | = -7 % | Inhibition of human Prostaglandin G/H synthase 1 at 0.1 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (functional) | = 0 % | Compound was evaluated for the inhibition of biosynthesis of prostaglandins at a concentration of 10e3 M | ChEMBL. | No reference |
| Inhibition (functional) | = 0 % | Antiinflammatory activity against collagen II arthritis in rats, activity% inhibition in injected paw edema | ChEMBL. | 3086558 |
| Inhibition (functional) | = 0 % | Antiinflammatory activity against collagen II arthritis in rats, activity % inhibition in noninjected paw edema | ChEMBL. | 3086558 |
| Inhibition (binding) | = 10 % | Inhibition of human Prostaglandin G/H synthase 1 at 1 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (binding) | = 10 % | Inhibition of human Prostaglandin G/H synthase 1 at 1 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (ADMET) | = 16.2 % | Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting | ChEMBL. | 22541068 |
| Inhibition (functional) | = 19 % | Compound was evaluated for the inhibition of biosynthesis of prostaglandins at a concentration of 10e3 M | ChEMBL. | No reference |
| Inhibition (binding) | = 19 % | In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined at 10e-4 M | ChEMBL. | 8254620 |
| Inhibition (binding) | = 19 % | In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined at 10e-4 M | ChEMBL. | 8254620 |
| Inhibition (ADMET) | = 23.5 % | Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting | ChEMBL. | 22541068 |
| Inhibition (binding) | = 25 % | Inhibition of human Prostaglandin G/H synthase 2 at 0.1 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (binding) | = 25 % | Inhibition of human Prostaglandin G/H synthase 2 at 0.1 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (binding) | = 35 % | Inhibition of human Prostaglandin G/H synthase 1 at 10 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (binding) | = 35 % | Inhibition of human Prostaglandin G/H synthase 1 at 10 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (binding) | = 40 % | Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition presence of TMPD by spectrophotometric analysis relative to control | LITERATURE. | 27842798 |
| Inhibition (binding) | < 50 % | In vitro inhibitory activity against ovine cyclooxygenase-1 (COX-1) at 200 uM; Inactive | ChEMBL. | 15369391 |
| Inhibition (binding) | < 50 % | In vitro inhibitory activity against ovine cyclooxygenase-1 (COX-1) at 200 uM; Inactive | ChEMBL. | 15369391 |
| Inhibition (functional) | = 52 % | Percent inhibition was determined in vivo in male Dawley rats at a dose of 10 mg/kg by rat carrageenan-induced hyperalgesia assay | ChEMBL. | 9135032 |
| Inhibition (binding) | = 57 % | Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD by spectrophotometric analysis relative to control | LITERATURE. | 27842798 |
| Inhibition (binding) | = 58 % | Inhibition of human Prostaglandin G/H synthase 2 at 1 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (binding) | = 58 % | Inhibition of human Prostaglandin G/H synthase 2 at 1 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (binding) | = 59 % | Percentage inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production at 100 microM | ChEMBL. | 9083488 |
| Inhibition (binding) | = 59 % | Percentage inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production at 100 microM | ChEMBL. | 9083488 |
| Inhibition (binding) | = 60 % | Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 1 to 2 mins followed by substrate addition in presence of TMPD by spectrophotometric analysis relative to control | LITERATURE. | 27842798 |
| Inhibition (binding) | = 62 % | Inhibition of human Prostaglandin G/H synthase 2 at 10 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (binding) | = 62 % | Inhibition of human Prostaglandin G/H synthase 2 at 10 ug/mL expressed as mean percent inhibition of control PGE-2 production | ChEMBL. | 9083488 |
| Inhibition (functional) | = 66 % | Compound was tested in vivo for antiinflammatory activity against chronic adjuvant arthritic rat by prophylactic inhibition 1 degree paw after peroral administration of 2 mg/kg of dose | ChEMBL. | 3086558 |
| Inhibition (functional) | = 67 % | Compound was evaluated for the inhibition of biosynthesis of prostaglandins at a concentration of 10e3 M | ChEMBL. | No reference |
| Inhibition (functional) | = 67 % | Antiinflammatory activity of compound expressed as percentage inhibition of carrageenan edema 4 hr after an oral dose of 10 mg/kg. | ChEMBL. | 7205872 |
| Inhibition (functional) | = 68 % | Compound was tested in vivo for antiinflammatory activity against chronic adjuvant arthritic rat by therapeutic inhibition 1 degree paw after peroral administration of 5 mg/kg of dose | ChEMBL. | 3086558 |
| Inhibition (ADMET) | = 68.3 % | Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting | ChEMBL. | 22541068 |
| Inhibition (ADMET) | = 68.52349115 % | Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | ChEMBL. | 23571415 |
| Inhibition (functional) | = 75 % | Antiinflammatory activity of compound expressed as percentage inhibition of carrageenan edema 4 hr after an oral dose of 33 mg/kg. | ChEMBL. | 7205872 |
| Inhibition (functional) | = 76 % | Compound was evaluated for the inhibition of adjuvant-induced arthritis model in rats at a dose of 1 mg/kg | ChEMBL. | 3118023 |
| Inhibition (functional) | = 80 % | Compound was tested in vivo for antiinflammatory activity against chronic adjuvant arthritic rat by therapeutic inhibition 2 degree paw after peroral administration of 5 mg/kg of dose | ChEMBL. | 3086558 |
| Inhibition (functional) | = 84 % | Compound was tested in vivo for antiinflammatory activity against chronic adjuvant arthritic rat by prophylactic inhibition 2 degree paw after peroral administration of 2 mg/kg of dose | ChEMBL. | 3086558 |
| Inhibition (functional) | = 85 % | Compound was evaluated for the inhibition of adjuvant-induced arthritis model in rats at a dose of 3 mg/kg | ChEMBL. | 3118023 |
| Inhibition (ADMET) | = 87.59297957 % | Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | ChEMBL. | 23571415 |
| Inhibition (functional) | = 92.5 % | Compound was evaluated for the inhibition of histamine release from rat peritoneal exudate cells induced by antigen-antibody reaction at 2 x 10 e 4 M concentration of the compound | ChEMBL. | No reference |
| Ki (binding) | DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Chemokine CXCR1 (IL-8A) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) | ChEMBL. | No reference | |
| Ki (functional) | = 4.88 uM | TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells | ChEMBL. | 11669456 |
| Ki (functional) | = 19.8 uM | TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells | ChEMBL. | 11669456 |
| Ki (functional) | = 52 uM | TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes | ChEMBL. | 10220563 |
| Ki (functional) | = 107.8 uM | TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT4-expressing S2 cells | ChEMBL. | 12063169 |
| Ki (functional) | = 1200 uM | TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells | ChEMBL. | 12130730 |
| Log K-1 (ADMET) | = -2.42 | compound was evaluated for reverse occurs for the rate constant(log K-1) at pH 3.0 | ChEMBL. | 9526560 |
| Log K-1 (ADMET) | = -1.93 | compound was evaluated for reverse occurs for the rate constant(log K-1) at pH 1.0 | ChEMBL. | 9526560 |
| Log K-1 (ADMET) | = -1.75 | compound was evaluated for reverse occurs for the rate constant(log K-1) at pH 7.4 | ChEMBL. | 9526560 |
| Log K1 (ADMET) | = -1.53 | compound was evaluated for rate constant of transfer (log K1) at pH 7.4 | ChEMBL. | 9526560 |
| Log K1 (ADMET) | = -1 | compound was evaluated for rate constant of transfer (log K1) at pH 1.0 | ChEMBL. | 9526560 |
| Log K1 (ADMET) | = -0.69 | compound was evaluated for rate constant of transfer (log K1) at pH 3.0 | ChEMBL. | 9526560 |
| log Kp (ADMET) | = -6.11 | Permeability coefficient in human skin | ChEMBL. | 17827020 |
| log Kp (ADMET) | = -6.02 | Permeability across human Skin | ChEMBL. | 17300161 |
| log Kp (ADMET) | = -6.02 cm/s | Permeability in human skin | ChEMBL. | 16789751 |
| log Kp (ADMET) | = -6.02 cm/s | Permeability in human skin | ChEMBL. | 16789751 |
| log Pe (ADMET) | = -4.35 | Permeability across PAMPA membrane after 7 hrs | ChEMBL. | 17300161 |
| Log Pe (ADMET) | = -4 cm s-1 | Effective permeability (Pe) across a hexadecane membrane (pH 6.8) | ChEMBL. | 11300874 |
| Log Pe (ADMET) | = -3.3 cm s-1 | Highest effective permeability across hexadecane membrane (pH 4-8) | ChEMBL. | 11300874 |
| log Pe (ADMET) | = -4.35 cm/s | Effective permeability coefficient in 70% silicon-30% IPM membrane | ChEMBL. | 16789751 |
| logD (ADMET) | = -0.08 | Partition coefficient (logD7.4) | ChEMBL. | 9526560 |
| logD (ADMET) | = 0.3 | Partition coefficient (logD6.8) | ChEMBL. | 11300874 |
| logD (ADMET) | = 0.63 | Partition coefficient (logD1.0) | ChEMBL. | 9526560 |
| logD (ADMET) | = 1.43 | Partition coefficient (logD3.0) | ChEMBL. | 9526560 |
| LogP (ADMET) | = -4.44 | Permeability coefficient through artificial membrane in presence of unstirred water layer by PAMPA | ChEMBL. | 17418579 |
| LogP | = 1.98 | Partition coefficient, log P of the compound | ChEMBL. | 17418579 |
| LogP | = 3.06 | Partition coefficient, log P of the compound | ChEMBL. | 17300161 |
| LogP app (ADMET) | = -4.96 | Permeability coefficient through artificial membrane in presence of unstirred water layer by PAMPA | ChEMBL. | 17418579 |
| LogP app (ADMET) | = -4.72 | Permeability coefficient through artificial membrane in presence of stirred water layer | ChEMBL. | 17418579 |
| logPm (ADMET) | = -2.08 | Intrinsic artificial membrane permeability coefficient, log P0 of the compound | ChEMBL. | 17418579 |
| Max blood concentration (ADMET) | = 47.8 nM g-1 | Maximal blood concentration after oral administration of a 30 microM/kg dose of compound | ChEMBL. | 10602708 |
| Mean ulcer index (functional) | = 0.6 mM | Compound is evaluated for mean ulcer index in rats at a dose of 3 mg/kg | ChEMBL. | 3118023 |
| Mean ulcer index (functional) | = 1.01 mM | Compound is evaluated for mean ulcer index in rats at a dose of 10 mg/kg | ChEMBL. | 3118023 |
| Mean ulcer index (functional) | = 4.57 mM | Compound is evaluated for mean ulcer index in rats at a dose of 30 mg/kg | ChEMBL. | 3118023 |
| Min ED (functional) | = 0.3 mg kg-1 | Antiinflammatory activity expressed as minimum effective dose was screened by using adjuvant-induced local hyperthermia in rats | ChEMBL. | 3118023 |
| Papp (ADMET) | = 19.23 10^-6 cm/s | Permeability coefficient through artificial membrane in presence of stirred water layer | ChEMBL. | 17418579 |
| Peff (ADMET) | = 7.8 | Effective permeability of the compound measured in human. | ChEMBL. | 9836611 |
| Peff (ADMET) | = 7.8 | Effective permeability of the compound measured in human. | ChEMBL. | 9836611 |
| Permeability (ADMET) | BBB penetration classification | ChEMBL. | 10841799 | |
| Permeability (ADMET) | 0 | BBB penetration classification | ChEMBL. | 10841799 |
| pKa | nm 0 | pKa values of the compound; nm= 'not measured' | ChEMBL. | 9836611 |
| pKa | = 1.86 | Dissociation constant, pKa of the compound | ChEMBL. | 16789751 |
| pKa | = 6.5 | Dissociation constant (pKa) | ChEMBL. | 8568796 |
| pKa | = 7.43 | Flux ionization constant, pKa of the membrane permeability coefficient of the compound | ChEMBL. | 17418579 |
| Positive (functional) | = 60 % | Antiinflammatory activity on the development of collagen II arthritis in rats, measured based on animals positive for arthritis by the presence of bone lesions | ChEMBL. | 3086558 |
| Positive (functional) | = 73.3 % | Antiinflammatory activity on the development of collagen II arthritis in rats, measured based on animals positive for arthritis by the presence of paw edema | ChEMBL. | 3086558 |
| Potency (functional) | = 0.0089 um | PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 594 (Rhodamine region spectral profiling screen)] | ChEMBL. | No reference |
| Potency (functional) | = 0.0089 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] | ChEMBL. | No reference |
| Potency (functional) | = 0.01 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for NFkB Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 895 ] | ChEMBL. | No reference |
| Potency (functional) | = 0.01 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for NFkB Signaling Pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.7943 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (ADMET) | = 1.2589 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (ADMET) | = 1.2589 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) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of Acetylcholine Muscarinic M1 Receptor: Measurement of IP-One Response. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (ADMET) | = 3.9811 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] | ChEMBL. | No reference |
| Potency (functional) | 4.1095 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (ADMET) | = 6.3096 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (functional) | 6.3096 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.6891 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) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (ADMET) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] | ChEMBL. | No reference |
| Potency (functional) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 17.7828 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
| Potency (functional) | 18.526 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 22.3872 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (ADMET) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 26.8545 uM | PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (ADMET) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] | ChEMBL. | No reference |
| Potency (functional) | 32.6427 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | 39.8107 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 44.042 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 61.6905 uM | PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| PPB (ADMET) | = 99.3 % | Plasma protein binding in human | ChEMBL. | 21601448 |
| Ratio (binding) | = 0.1 | IC50 ratio measured as the IC50 values of COX-1 to that of COX-2. | ChEMBL. | 7562922 |
| Ratio (binding) | = 0.1 | IC50 ratio measured as the IC50 values of COX-1 to that of COX-2. | ChEMBL. | 7562922 |
| Ratio (functional) | = 3.7 | Ratio of carrageenan paw edema ED50/Randall-Sellitto ED50 | ChEMBL. | 3373493 |
| Safety index (functional) | = 17 | Ratio of acute ulcerogenesis UD50/Randall-Selitto ED50 | ChEMBL. | 3373493 |
| Stretches (functional) | = 2.4 | Antinociceptive activity in the mouse writhing test after intraperitoneal dose of 5 mg/kg | ChEMBL. | 12502367 |
| Stretches (functional) | = 24.6 | Antinociceptive activity in the mouse writhing test before administration of the compound | ChEMBL. | 12502367 |
| Stretches (functional) | = 2.4 | Antinociceptive activity in the mouse writhing test after intraperitoneal dose of 5 mg/kg | ChEMBL. | 12502367 |
| Stretches (functional) | = 24.6 | Antinociceptive activity in the mouse writhing test before administration of the compound | ChEMBL. | 12502367 |
| UD50 (functional) | = 6 mg kg-1 | Dose at which 50% of the rats had a positive gastrointestinal irritation / ulceration on a quantal all-or-none basis. | ChEMBL. | 3373493 |
| Ulcer index (functional) | = 14.4 mM | Compound was assessed for ulcerogencity in rats at a dose of 100 mg/kg | ChEMBL. | No reference |
| Ulcer index (functional) | = 65.5 mM | Compound was assessed for ulcerogencity in rats at a dose of 300 mg/kg | ChEMBL. | No reference |
| Ulceration (functional) | = 2.9 mg kg-1 | Concentration at which gastric damage will occur was determined in rat | ChEMBL. | 9135032 |
| Vdss (ADMET) | = 0.14 L/Kg | Volume of distribution at steady state in human | ChEMBL. | 19586686 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 | 19734910 | |
| Saccharomyces cerevisiae | 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:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL527
Bibliographic References
38 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.