Detailed information for compound 1346508
Basic information
Technical information
- TDR Targets ID: 1346508
- Name: 2-[[(Z)-[2-[3-[(2-methoxyphenyl)sulfamoyl]phe nyl]-1,3-dioxoisoquinolin-4-ylidene]methyl]am ino]benzoic acid
- MW: 569.585 | Formula: C30H23N3O7S
-
H donors: 3
H acceptors: 6
LogP: 4.79
Rotable bonds: 8
Rule of 5 violations (Lipinski): 2 - SMILES: COc1ccccc1NS(=O)(=O)c1cccc(c1)N1C(=O)/C(=C\Nc2ccccc2C(=O)O)/c2c(C1=O)cccc2
- InChi: 1S/C30H23N3O7S/c1-40-27-16-7-6-15-26(27)32-41(38,39)20-10-8-9-19(17-20)33-28(34)22-12-3-2-11-21(22)24(29(33)35)18-31-25-14-5-4-13-23(25)30(36)37/h2-18,31-32H,1H3,(H,36,37)/b24-18-
- InChiKey: OJJZKRCYYUNNFG-MOHJPFBDSA-N
Network
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Synonyms
- 2-[[(Z)-[2-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-dioxo-4-isoquinolylidene]methyl]amino]benzoic acid
- 2-[[(Z)-[1,3-diketo-2-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-isoquinolylidene]methyl]amino]benzoic acid
- 2-[[(Z)-[2-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-dioxo-isoquinolin-4-ylidene]methyl]amino]benzoic acid
- MLS000776209
- SMR000371212
- T0511-3377
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | ATPase family, AAA domain containing 5 | Starlite/ChEMBL | No references |
| Homo sapiens | isocitrate dehydrogenase 1 (NADP+), soluble | Starlite/ChEMBL | No references |
| Trypanosoma brucei gambiense | ATP-dependent phosphofructokinase,6-phospho-1-fructokinase | No references | |
| Homo sapiens | tyrosyl-DNA phosphodiesterase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
| Homo sapiens | polymerase (DNA directed), eta | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | polymerase (DNA directed) iota | Starlite/ChEMBL | No references |
| Human immunodeficiency virus 1 | Envelope glycoprotein gp160 | Starlite/ChEMBL | No references |
| Homo sapiens | ataxin 2 | Starlite/ChEMBL | No references |
| Homo sapiens | neuropeptide S receptor 1 | Starlite/ChEMBL | No references |
| Homo sapiens | runt-related transcription factor 1 | Starlite/ChEMBL | No references |
| Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
| Staphylococcus aureus (strain N315) | Probable nicotinate-nucleotide adenylyltransferase | Starlite/ChEMBL | No references |
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
| Homo sapiens | core-binding factor, beta subunit | No references | |
| Trypanosoma brucei | ATP-dependent 6-phosphofructokinase, glycosomal | Starlite/ChEMBL | No references |
| Homo sapiens | neuropeptide Y receptor Y1 | Starlite/ChEMBL | No references |
| Homo sapiens | microtubule-associated protein tau | Starlite/ChEMBL | No references |
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 |
|---|---|---|---|---|
| Brugia malayi | Tyrosyl-DNA phosphodiesterase family protein | 0.008 | 0.0469 | 0.0781 |
| Echinococcus multilocularis | dna polymerase eta | 0.0077 | 0.0444 | 0.0363 |
| Echinococcus multilocularis | dna polymerase kappa | 0.0047 | 0.0118 | 0.0034 |
| Trichomonas vaginalis | DNA polymerase eta, putative | 0.0047 | 0.0118 | 0.1164 |
| Trypanosoma cruzi | ATP-dependent 6-phosphofructokinase, glycosomal | 0.0131 | 0.1015 | 1 |
| Schistosoma mansoni | DNA polymerase eta | 0.0077 | 0.0444 | 0.0457 |
| Chlamydia trachomatis | fructose-6-phosphate phosphotransferase | 0.0035 | 0 | 0.5 |
| Echinococcus granulosus | neuropeptide receptor A26 | 0.0561 | 0.5572 | 0.6556 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0131 | 0.1015 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0077 | 0.0444 | 0.0734 |
| Mycobacterium tuberculosis | Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic | 0.0345 | 0.3275 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0085 | 0.0833 |
| Schistosoma mansoni | 6-phosphofructokinase | 0.0131 | 0.1015 | 0.1137 |
| Entamoeba histolytica | deoxycytidyl transferase, putative | 0.0047 | 0.0118 | 0.1164 |
| Treponema pallidum | diphosphate--fructose-6-phosphate 1-phosphotransferase | 0.0131 | 0.1015 | 0.3099 |
| Loa Loa (eye worm) | hypothetical protein | 0.0535 | 0.5292 | 1 |
| Leishmania major | DNA polymerase kappa, putative | 0.0047 | 0.0118 | 0.0161 |
| Trypanosoma cruzi | tyrosyl-DNA Phosphodiesterase (Tdp1), putative | 0.008 | 0.0469 | 0.4009 |
| Mycobacterium tuberculosis | Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) | 0.0131 | 0.1015 | 0.2841 |
| Entamoeba histolytica | phosphofructokinase, putative | 0.0131 | 0.1015 | 1 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0047 | 0.0118 | 0.0111 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.0085 | 0.0029 |
| Trypanosoma brucei | tyrosyl-DNA Phosphodiesterase (Tdp1), putative | 0.008 | 0.0469 | 0.3911 |
| Echinococcus granulosus | dna polymerase kappa | 0.0047 | 0.0118 | 0.004 |
| Loa Loa (eye worm) | phosphofructokinase | 0.0131 | 0.1015 | 0.1825 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0085 | 0.0833 |
| Brugia malayi | 6-phosphofructokinase | 0.0131 | 0.1015 | 0.1825 |
| Echinococcus granulosus | microtubule associated protein 2 | 0.0833 | 0.8454 | 1 |
| Toxoplasma gondii | ImpB/MucB/SamB family protein | 0.0045 | 0.0103 | 1 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0131 | 0.1015 | 1 |
| Loa Loa (eye worm) | runx1 | 0.0067 | 0.0335 | 0.0525 |
| Echinococcus multilocularis | terminal deoxycytidyl transferase rev1 | 0.0047 | 0.0118 | 0.0034 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.0262 | 0.0386 |
| Entamoeba histolytica | phosphofructokinase, putative | 0.0131 | 0.1015 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0085 | 0.0833 |
| Echinococcus multilocularis | neuropeptide receptor A26 | 0.0561 | 0.5572 | 0.5534 |
| Trypanosoma cruzi | tyrosyl-DNA Phosphodiesterase (Tdp1), putative | 0.008 | 0.0469 | 0.4009 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.0085 | 0.0029 |
| Trypanosoma brucei | ATP-dependent 6-phosphofructokinase, glycosomal | 0.0131 | 0.1015 | 1 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0131 | 0.1015 | 1 |
| Plasmodium falciparum | nicotinamide/nicotinic acid mononucleotide adenylyltransferase | 0.0345 | 0.3275 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0535 | 0.5292 | 1 |
| Mycobacterium leprae | PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC | 0.0345 | 0.3275 | 1 |
| Echinococcus multilocularis | tyrosyl DNA phosphodiesterase 1 | 0.008 | 0.0469 | 0.0388 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0047 | 0.0118 | 0.0161 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0262 | 0.0386 |
| Echinococcus granulosus | neuropeptide s receptor | 0.0561 | 0.5572 | 0.6556 |
| Schistosoma mansoni | microtubule-associated protein tau | 0.0833 | 0.8454 | 1 |
| Onchocerca volvulus | 0.0535 | 0.5292 | 0.5 | |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0077 | 0.0444 | 0.0734 |
| Echinococcus multilocularis | 6 phosphofructokinase | 0.0131 | 0.1015 | 0.0938 |
| Echinococcus multilocularis | Protein lozenge | 0.0067 | 0.0335 | 0.0253 |
| Plasmodium vivax | nicotinate-nucleotide adenylyltransferase, putative | 0.0345 | 0.3275 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0085 | 0.0833 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.0085 | 0.0046 |
| Trichomonas vaginalis | DNA polymerase IV / kappa, putative | 0.0047 | 0.0118 | 0.1164 |
| Loa Loa (eye worm) | 6-phosphofructokinase | 0.0131 | 0.1015 | 0.1825 |
| Treponema pallidum | hypothetical protein | 0.0345 | 0.3275 | 1 |
| Echinococcus granulosus | terminal deoxycytidyl transferase rev1 | 0.0047 | 0.0118 | 0.004 |
| Echinococcus granulosus | 6 phosphofructokinase | 0.0131 | 0.1015 | 0.1112 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0047 | 0.0118 | 0.0161 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0047 | 0.0118 | 0.0161 |
| Echinococcus granulosus | dna polymerase eta | 0.0077 | 0.0444 | 0.0429 |
| Entamoeba histolytica | tyrosyl-DNA phosphodiesterase, putative | 0.008 | 0.0469 | 0.4619 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0047 | 0.0118 | 0.0161 |
| Loa Loa (eye worm) | ImpB/MucB/SamB family protein | 0.0047 | 0.0118 | 0.0111 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0131 | 0.1015 | 1 |
| Leishmania major | tyrosyl-DNA phosphodiesterase 1 | 0.008 | 0.0469 | 0.4009 |
| Leishmania major | DNA polymerase kappa, putative,DNA polymerase IV, putative | 0.0047 | 0.0118 | 0.0161 |
| Schistosoma mansoni | 6-phosphofructokinase | 0.0131 | 0.1015 | 0.1137 |
| Leishmania major | ATP-dependent phosphofructokinase | 0.0131 | 0.1015 | 1 |
| Entamoeba histolytica | phosphofructokinase, putative | 0.0131 | 0.1015 | 1 |
| Leishmania major | DNA polymerase eta, putative | 0.0077 | 0.0444 | 0.3736 |
| Schistosoma mansoni | rab geranylgeranyl transferase alpha subunit | 0.0047 | 0.0118 | 0.0069 |
| Echinococcus granulosus | transcription factor Dp 1 | 0.0046 | 0.0113 | 0.0034 |
| Brugia malayi | phosphofructokinase | 0.0131 | 0.1015 | 0.1825 |
| Echinococcus multilocularis | microtubule associated protein 2 | 0.0833 | 0.8454 | 0.8441 |
| Brugia malayi | 6-phosphofructokinase | 0.0131 | 0.1015 | 0.1825 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0077 | 0.0444 | 0.3736 |
| Mycobacterium ulcerans | 6-phosphofructokinase | 0.0131 | 0.1015 | 0.2841 |
| Schistosoma mansoni | tyrosyl-DNA phosphodiesterase | 0.008 | 0.0469 | 0.0487 |
| Schistosoma mansoni | terminal deoxycytidyl transferase | 0.0047 | 0.0118 | 0.0069 |
| Loa Loa (eye worm) | tyrosyl-DNA phosphodiesterase | 0.008 | 0.0469 | 0.0781 |
| Brugia malayi | hypothetical protein | 0.0535 | 0.5292 | 1 |
| Loa Loa (eye worm) | 6-phosphofructokinase | 0.0131 | 0.1015 | 0.1825 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.0262 | 0.0386 |
| Chlamydia trachomatis | fructose-6-phosphate phosphotransferase | 0.0035 | 0 | 0.5 |
| Echinococcus granulosus | tyrosyl DNA phosphodiesterase 1 | 0.008 | 0.0469 | 0.0459 |
| Trypanosoma brucei | DNA polymerase eta, putative | 0.0077 | 0.0444 | 0.3634 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.0262 | 0.0386 |
| Schistosoma mansoni | lozenge | 0.0067 | 0.0335 | 0.0327 |
| Giardia lamblia | DINP protein human, muc B family | 0.0047 | 0.0118 | 1 |
| Mycobacterium ulcerans | bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein | 0.0345 | 0.3275 | 1 |
| Echinococcus multilocularis | transcription factor Dp 1 | 0.0046 | 0.0113 | 0.0029 |
| Echinococcus multilocularis | neuropeptide s receptor | 0.0561 | 0.5572 | 0.5534 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | > 11.81 um | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for agonists of NPY-Y2: cell-based high-throughput dose response assay for agonists of NPY-Y1. (Class of assay: confirmatory) [Related pubchem assays: 1703 (Screening assay (CNGC inhibitors).), 1359 (Screening assay (NPY-Y2 potentiators or agonists).), 1304 (Screening assay (NPY-Y1 potentiators or agonists).), 1710 (Screening assay (NPY-Y2 agonists).), 1791 (Summary AID.)] | ChEMBL. | No reference |
| EC50 (functional) | = 13.411 um | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for potentiators or agonists of NPY-Y2: cell-based high-throughput dose response assay to identify inhibitors of cyclic nucleotide gated ion channel (CNGC) activity. In this assay, the parental HEK293 cell line transfected with a cyclic-nucleotide gated ion channel (CNGC)-based cAMP sensor is used to measure inhibition of isoproterenol-induced CNGC activity by test compound. (Class of assay: confirmatory) [Related pubchem assays: 1359 (Screening assay (NPY-Y2 potentiators or agonists).), 1539 (Screening assay (NPY-Y2 potentiators or agonists).), 1703 (Screening assay (CNGC inhibitors).), 1304 (Screening assay (NPY-Y1 potentiators or agonists).), 1791 (Summary AID.)] | ChEMBL. | No reference |
| EC50 (functional) | = 20.135 um | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high-throughput dose response assay for agonists of NPY-Y2. (Class of assay: confirmatory) [Related pubchem assays: 1703 (Screening assay (CNGC inhibitors).), 1359 (Screening assay (NPY-Y2 potentiators or agonists).), 1304 (Screening assay (NPY-Y1 potentiators or agonists).), 1710 (Screening assay (NPY-Y2 agonists).), 1791 (Summary AID.)] | ChEMBL. | No reference |
| IC50 (functional) | 2.81 uM | PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (binding) | = 13.1 uM | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immunodeficiency Virus Fusion Inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1991, AID434967] | ChEMBL. | No reference |
| IC50 (functional) | 22.2 uM | PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay - Set 2. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (binding) | = 30.4 um | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopeptidase (M1AAP). Inhibition of the rate of hydrolysis of fluorogenic peptide substrate (H-Leu-NHMec). Secondary screen (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.5012 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 1.2995 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | 2.5119 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 2.9093 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 4.1078 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) | 8.4921 uM | PUBCHEM_BIOASSAY: Tb PFK orthogonal confirmatory assay using ATP depletion (Kinase-Glo Plus) as an alternative measure of Tb PFK activity: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] | ChEMBL. | No reference |
| Potency (functional) | 9.5283 uM | PUBCHEM_BIOASSAY: Inhibitors of T. brucei phosphofructokinase: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] | ChEMBL. | No reference |
| Potency (binding) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (binding) | 15.8489 uM | PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] | ChEMBL. | No reference |
| Potency (functional) | 15.8489 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 20.5962 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] | ChEMBL. | No reference |
| Potency (functional) | 22.3872 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 23.9341 uM | PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] | ChEMBL. | No reference |
| Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.9349 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | 31.6228 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 37.933 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) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 44.6684 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) | 44.6684 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 56.2341 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 56.2341 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) | 56.2341 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 58.4789 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | 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: CHEMBL1485064
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.