Detailed information for compound 1859169
Basic information
Technical information
- Name: Unnamed compound
- MW: 274.317 | Formula: C18H14N2O
-
H donors: 0
H acceptors: 1
LogP: 4.35
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: N#Cc1c(/N=C/c2cccc3c2cccc3)oc(c1C)C
- InChi: 1S/C18H14N2O/c1-12-13(2)21-18(17(12)10-19)20-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,11H,1-2H3/b20-11+
- InChiKey: UOEUUHPTGBEJBY-RGVLZGJSSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | arachidonate 15-lipoxygenase | Starlite/ChEMBL | No references |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Starlite/ChEMBL | No references |
| Homo sapiens | hydroxysteroid (17-beta) dehydrogenase 10 | Starlite/ChEMBL | No references |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Starlite/ChEMBL | No references |
| Homo sapiens | Werner syndrome, RecQ helicase-like | Starlite/ChEMBL | No references |
| Homo sapiens | pyruvate kinase, muscle | Starlite/ChEMBL | No references |
| Homo sapiens | mitogen-activated protein kinase 1 | 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 |
|---|---|---|---|---|
| Mycobacterium tuberculosis | Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras | 0.0145 | 0.3957 | 0.819 |
| Schistosoma mansoni | lipoxygenase | 0.0067 | 0.1689 | 0.3215 |
| Echinococcus multilocularis | lipoxygenase domain containing protein | 0.0024 | 0.0445 | 0.2067 |
| Schistosoma mansoni | hypothetical protein | 0.0024 | 0.0445 | 0.0696 |
| Treponema pallidum | fructose-bisphosphate aldolase | 0.0353 | 1 | 1 |
| Schistosoma mansoni | pyruvate kinase | 0.0021 | 0.0354 | 0.0512 |
| Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0569 | 0.1427 |
| Brugia malayi | alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase | 0.0015 | 0.0176 | 0.0995 |
| Brugia malayi | Bloom's syndrome protein homolog | 0.0029 | 0.0595 | 0.3373 |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0062 | 0.154 | 0.386 |
| Schistosoma mansoni | polycystin 1-related | 0.0024 | 0.0445 | 0.0696 |
| Echinococcus multilocularis | RUN | 0.0024 | 0.0445 | 0.2067 |
| Mycobacterium tuberculosis | Probable reductase | 0.013 | 0.3535 | 0.7238 |
| Echinococcus granulosus | bloom syndrome protein | 0.0029 | 0.0595 | 0.297 |
| Brugia malayi | Doublecortin family protein | 0.0024 | 0.0445 | 0.2521 |
| Plasmodium vivax | dihydrolipoyl dehydrogenase, apicoplast, putative | 0.002 | 0.0328 | 0.005 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 0.154 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0024 | 0.0445 | 0.1115 |
| Brugia malayi | 3-hydroxyacyl-CoA dehydrogenase type II | 0.0069 | 0.1765 | 1 |
| Trypanosoma cruzi | trypanothione reductase, putative | 0.002 | 0.0328 | 0.0934 |
| Plasmodium vivax | glutathione reductase, putative | 0.0057 | 0.1411 | 1 |
| Trypanosoma brucei | trypanothione reductase | 0.0057 | 0.1411 | 0.9037 |
| Plasmodium vivax | thioredoxin reductase, putative | 0.0057 | 0.1411 | 1 |
| Echinococcus granulosus | RUN | 0.0024 | 0.0445 | 0.2067 |
| Echinococcus granulosus | lipoxygenase domain containing protein | 0.0024 | 0.0445 | 0.2067 |
| Loa Loa (eye worm) | hypothetical protein | 0.0024 | 0.0445 | 0.1115 |
| Echinococcus multilocularis | pyruvate kinase | 0.0021 | 0.0354 | 0.152 |
| Plasmodium falciparum | ADP-dependent DNA helicase RecQ | 0.0025 | 0.0493 | 0.2991 |
| Leishmania major | 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein | 0.002 | 0.0328 | 0.0799 |
| Echinococcus multilocularis | bloom syndrome protein | 0.0029 | 0.0595 | 0.297 |
| Plasmodium falciparum | glutathione reductase | 0.002 | 0.0328 | 0.1733 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0069 | 0.1765 | 0.3242 |
| Entamoeba histolytica | pyruvate kinase, putative | 0.0028 | 0.0569 | 0.0374 |
| Plasmodium vivax | dihydrolipoyl dehydrogenase, mitochondrial, putative | 0.002 | 0.0328 | 0.005 |
| Plasmodium falciparum | pyruvate kinase | 0.004 | 0.0923 | 0.6274 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0019 | 0.0316 | 0.1493 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0069 | 0.1765 | 0.3242 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.0923 | 1 |
| Plasmodium falciparum | thioredoxin reductase | 0.0057 | 0.1411 | 1 |
| Trypanosoma brucei | dihydrolipoyl dehydrogenase | 0.002 | 0.0328 | 0.0934 |
| Trypanosoma cruzi | trypanothione reductase, putative | 0.0057 | 0.1411 | 0.9037 |
| Echinococcus granulosus | dihydrolipoamide dehydrogenase | 0.002 | 0.0328 | 0.1365 |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.002 | 0.0328 | 0.0934 |
| Trichomonas vaginalis | glutathione reductase, putative | 0.002 | 0.0328 | 0.0127 |
| Giardia lamblia | Fructose-bisphosphate aldolase | 0.0353 | 1 | 1 |
| Schistosoma mansoni | lipoxygenase | 0.0024 | 0.0445 | 0.0696 |
| Brugia malayi | Thioredoxin reductase | 0.0057 | 0.1411 | 0.7997 |
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0062 | 0.154 | 1 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.0923 | 0.2314 |
| Toxoplasma gondii | pyruvate kinase PyK1 | 0.004 | 0.0923 | 0.5713 |
| Leishmania major | dihydrolipoamide dehydrogenase, putative | 0.002 | 0.0328 | 0.0799 |
| Schistosoma mansoni | dihydrolipoamide dehydrogenase | 0.002 | 0.0328 | 0.046 |
| Toxoplasma gondii | pyruvate dehydrogenase complex subunit PDH-E3II | 0.002 | 0.0328 | 0.1578 |
| Trypanosoma brucei | dihydrolipoamide dehydrogenase | 0.002 | 0.0328 | 0.0934 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0145 | 0.3957 | 0.819 |
| Brugia malayi | Pyruvate kinase, alpha/beta domain containing protein | 0.0012 | 0.0107 | 0.0609 |
| Brugia malayi | MAP kinase sur-1 | 0.0062 | 0.154 | 0.8726 |
| Echinococcus granulosus | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0069 | 0.1765 | 1 |
| Echinococcus multilocularis | Polycystic kidney disease protein | 0.0024 | 0.0445 | 0.2067 |
| Echinococcus granulosus | pyruvate kinase | 0.0021 | 0.0354 | 0.152 |
| Brugia malayi | hypothetical protein | 0.0024 | 0.0445 | 0.2521 |
| Schistosoma mansoni | loxhd1 | 0.0024 | 0.0445 | 0.0696 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 0.154 | 1 |
| Brugia malayi | hypothetical protein | 0.0024 | 0.0445 | 0.2521 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.0923 | 0.4941 |
| Brugia malayi | glutathione reductase | 0.0057 | 0.1411 | 0.7997 |
| Leishmania major | pyruvate kinase | 0.004 | 0.0923 | 0.461 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.0923 | 0.5385 |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.002 | 0.0328 | 0.0934 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0062 | 0.154 | 0.856 |
| Plasmodium falciparum | LCCL domain-containing protein | 0.0024 | 0.0445 | 0.2624 |
| Schistosoma mansoni | 3-hydroxyacyl-CoA dehydrogenase | 0.0069 | 0.1765 | 0.3368 |
| Mycobacterium tuberculosis | Probable fructose-bisphosphate aldolase Fba | 0.0172 | 0.4759 | 1 |
| Mycobacterium tuberculosis | NAD(P)H quinone reductase LpdA | 0.0145 | 0.3957 | 0.819 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
| Echinococcus multilocularis | arachidonate 5 lipoxygenase | 0.0067 | 0.1689 | 0.9545 |
| Loa Loa (eye worm) | RecQ helicase | 0.0029 | 0.0595 | 0.1492 |
| Leishmania major | 3-oxoacyl-(acyl-carrier protein) reductase, putative | 0.0069 | 0.1765 | 1 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.0101 | 0.0000000010995 |
| Echinococcus multilocularis | pyruvate kinase | 0.0021 | 0.0354 | 0.152 |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.002 | 0.0328 | 0.0934 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 0.0101 | 0.0253 |
| Trypanosoma brucei | dihydrolipoamide dehydrogenase | 0.002 | 0.0328 | 0.0934 |
| Trichomonas vaginalis | DNA helicase recq1, putative | 0.0029 | 0.0595 | 0.04 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.0923 | 0.2314 |
| Trypanosoma brucei | pyruvate kinase 1, putative | 0.004 | 0.0923 | 0.5385 |
| Echinococcus granulosus | pyruvate kinase | 0.0021 | 0.0354 | 0.152 |
| Loa Loa (eye worm) | ATP-dependent DNA helicase | 0.0012 | 0.0101 | 0.0253 |
| Mycobacterium tuberculosis | Probable pyruvate kinase PykA | 0.004 | 0.0923 | 0.1343 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
| Echinococcus multilocularis | thioredoxin glutathione reductase | 0.0057 | 0.1411 | 0.7876 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0062 | 0.154 | 1 |
| Echinococcus granulosus | mitogen activated protein kinase | 0.0062 | 0.154 | 0.8649 |
| Plasmodium falciparum | dihydrolipoyl dehydrogenase, apicoplast | 0.002 | 0.0328 | 0.1733 |
| Mycobacterium leprae | Probable fructose bisphosphate aldolase Fba | 0.0172 | 0.4759 | 1 |
| Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.0101 | 0.0572 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.0923 | 1 |
| Echinococcus multilocularis | pyruvate kinase | 0.0032 | 0.0677 | 0.346 |
| Trypanosoma cruzi | dihydrolipoyl dehydrogenase, putative | 0.002 | 0.0328 | 0.0934 |
| Entamoeba histolytica | fructose-1,6-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
| Echinococcus multilocularis | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0069 | 0.1765 | 1 |
| Mycobacterium tuberculosis | Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB | 0.013 | 0.3535 | 0.7238 |
| Trypanosoma cruzi | dihydrolipoyl dehydrogenase, putative | 0.002 | 0.0328 | 0.0934 |
| Mycobacterium tuberculosis | Probable membrane NADH dehydrogenase NdhA | 0.013 | 0.3535 | 0.7238 |
| Echinococcus multilocularis | mitogen activated protein kinase | 0.0062 | 0.154 | 0.8649 |
| Plasmodium falciparum | thioredoxin reductase | 0.002 | 0.0328 | 0.1733 |
| Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0062 | 0.154 | 0.8649 |
| Echinococcus multilocularis | dihydrolipoamide dehydrogenase | 0.002 | 0.0328 | 0.1365 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.0923 | 0.4941 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.0923 | 0.0735 |
| Brugia malayi | Pyruvate kinase, muscle isozyme | 0.004 | 0.0923 | 0.5231 |
| Echinococcus granulosus | arachidonate 5 lipoxygenase | 0.0067 | 0.1689 | 0.9545 |
| Schistosoma mansoni | rab6-interacting | 0.0024 | 0.0445 | 0.0696 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0062 | 0.154 | 0.2913 |
| Plasmodium falciparum | pyruvate kinase 2 | 0.0021 | 0.0354 | 0.193 |
| Trypanosoma brucei | pyruvate kinase 1 | 0.004 | 0.0923 | 0.5385 |
| Echinococcus granulosus | thioredoxin glutathione reductase | 0.0057 | 0.1411 | 0.7876 |
| Trichomonas vaginalis | mercuric reductase, putative | 0.002 | 0.0328 | 0.0127 |
| Leishmania major | pyruvate kinase | 0.004 | 0.0923 | 0.461 |
| Loa Loa (eye worm) | pyruvate kinase-PB | 0.0028 | 0.0569 | 0.1427 |
| Leishmania major | dihydrolipoamide dehydrogenase, putative | 0.002 | 0.0328 | 0.0799 |
| Plasmodium vivax | pyruvate kinase 2, putative | 0.0021 | 0.0354 | 0.0287 |
| Schistosoma mansoni | blooms syndrome DNA helicase | 0.0023 | 0.0418 | 0.0642 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.0923 | 0.1664 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.0923 | 0.1664 |
| Echinococcus multilocularis | lipoxygenase domain containing protein | 0.0024 | 0.0445 | 0.2067 |
| Giardia lamblia | NADH oxidase lateral transfer candidate | 0.002 | 0.0328 | 0.0229 |
| Plasmodium vivax | pyruvate kinase, putative | 0.004 | 0.0923 | 0.5515 |
| Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.0101 | 0.0572 |
| Toxoplasma gondii | pyruvate kinase PyKII | 0.0021 | 0.0354 | 0.1757 |
| Brugia malayi | dihydrolipoyl dehydrogenase, mitochondrial precursor, putative | 0.002 | 0.0328 | 0.1859 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 0.154 | 0.1364 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
| Chlamydia trachomatis | pyruvate kinase | 0.004 | 0.0923 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0069 | 0.1765 | 0.3242 |
| Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.002 | 0.0328 | 0.5 |
| Plasmodium vivax | multidomain scavenger receptor, putative | 0.0024 | 0.0445 | 0.1122 |
| Plasmodium falciparum | dihydrolipoyl dehydrogenase, mitochondrial | 0.002 | 0.0328 | 0.1733 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 0.154 | 0.1364 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.0923 | 0.4941 |
| Mycobacterium ulcerans | pyruvate kinase | 0.004 | 0.0923 | 0.1343 |
| Loa Loa (eye worm) | glutathione reductase | 0.0057 | 0.1411 | 0.3537 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 0.154 | 0.1364 |
| Giardia lamblia | Pyruvate kinase | 0.004 | 0.0923 | 0.083 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.0923 | 0.5385 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.0923 | 0.0735 |
| Leishmania major | trypanothione reductase | 0.0057 | 0.1411 | 0.7736 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0062 | 0.154 | 1 |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.002 | 0.0328 | 0.0934 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
| Plasmodium falciparum | glutathione reductase | 0.0057 | 0.1411 | 1 |
| Toxoplasma gondii | thioredoxin reductase | 0.0057 | 0.1411 | 0.9106 |
| Loa Loa (eye worm) | 3-hydroxyacyl-CoA dehydrogenase type II | 0.0065 | 0.1629 | 0.4084 |
| Mycobacterium tuberculosis | NADPH-dependent mycothiol reductase Mtr | 0.0057 | 0.1411 | 0.2445 |
| Loa Loa (eye worm) | doublecortin family protein | 0.0024 | 0.0445 | 0.1115 |
| Mycobacterium ulcerans | fructose-bisphosphate aldolase | 0.0172 | 0.4759 | 1 |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.002 | 0.0328 | 0.0934 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.0923 | 0.4941 |
| Schistosoma mansoni | rab6-interacting | 0.0024 | 0.0445 | 0.0696 |
| Mycobacterium tuberculosis | Probable dehydrogenase | 0.013 | 0.3535 | 0.7238 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0029 | 0.0595 | 0.04 |
| Trypanosoma brucei | protein kinase, putative | 0.0062 | 0.154 | 1 |
| Echinococcus granulosus | lipoxygenase domain containing protein | 0.0024 | 0.0445 | 0.2067 |
| Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0062 | 0.154 | 0.8649 |
| Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.002 | 0.0328 | 0.5 |
| Mycobacterium tuberculosis | Putative ferredoxin reductase | 0.013 | 0.3535 | 0.7238 |
| Mycobacterium tuberculosis | Probable NADH dehydrogenase Ndh | 0.013 | 0.3535 | 0.7238 |
| Leishmania major | acetoin dehydrogenase e3 component-like protein | 0.002 | 0.0328 | 0.0799 |
| Loa Loa (eye worm) | hypothetical protein | 0.004 | 0.0923 | 0.2314 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.0923 | 1 |
| Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0145 | 0.3957 | 0.7909 |
| Trypanosoma brucei | dihydrolipoamide dehydrogenase, point mutation | 0.002 | 0.0328 | 0.0934 |
| Loa Loa (eye worm) | hypothetical protein | 0.0146 | 0.399 | 1 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.0923 | 0.2314 |
| Toxoplasma gondii | NADPH-glutathione reductase | 0.002 | 0.0328 | 0.1578 |
| Echinococcus granulosus | Polycystic kidney disease protein | 0.0024 | 0.0445 | 0.2067 |
| Giardia lamblia | Pyruvate kinase | 0.0021 | 0.0354 | 0.0255 |
| Loa Loa (eye worm) | thioredoxin reductase | 0.0057 | 0.1411 | 0.3537 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 0.154 | 0.1364 |
| Echinococcus granulosus | pyruvate kinase | 0.0021 | 0.0354 | 0.152 |
| Brugia malayi | Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein | 0.0015 | 0.0176 | 0.0995 |
| Echinococcus multilocularis | pyruvate kinase | 0.0021 | 0.0354 | 0.152 |
| Brugia malayi | Pyruvate kinase, M2 isozyme | 0.004 | 0.0923 | 0.5231 |
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0062 | 0.154 | 0.856 |
| Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.002 | 0.0328 | 0.0934 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.0062 | 0.154 | 0.1454 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0353 | 1 | 1 |
| Mycobacterium leprae | PROBABLE NADH DEHYDROGENASE NDH | 0.013 | 0.3535 | 0.6809 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0062 | 0.154 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 3.9811 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 7.9433 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 7.9433 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | ChEMBL. | No reference |
| Potency (functional) | = 15.8114 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] | ChEMBL. | No reference |
| Potency (functional) | 18.8876 uM | PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 22.3872 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 23.7781 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 (functional) | 25.1189 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | 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) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 39.8107 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 (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] | ChEMBL. | No reference |
| Potency (functional) | 47.7548 uM | PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] | ChEMBL. | No reference |
| Potency (functional) | 63.0957 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) | 84.9214 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
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: CHEMBL3194220
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.