Detailed information for compound 187963
Basic information
Technical information
- TDR Targets ID: 187963
- Name: 3-[[6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-(4-p henylbutoxy)pyridin-2-yl]methylsulfanylmethyl ]benzoic acid
- MW: 477.572 | Formula: C27H27NO5S
-
H donors: 2
H acceptors: 5
LogP: 4.98
Rotable bonds: 13
Rule of 5 violations (Lipinski): 1 - SMILES: OC(=O)/C=C/c1nc(CSCc2cccc(c2)C(=O)O)ccc1OCCCCc1ccccc1
- InChi: 1S/C27H27NO5S/c29-26(30)15-13-24-25(33-16-5-4-9-20-7-2-1-3-8-20)14-12-23(28-24)19-34-18-21-10-6-11-22(17-21)27(31)32/h1-3,6-8,10-15,17H,4-5,9,16,18-19H2,(H,29,30)(H,31,32)/b15-13+
- InChiKey: AYQLHLVAMFCCJH-FYWRMAATSA-N
Network
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Synonyms
- 3-[[6-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-5-(4-phenylbutoxy)-2-pyridyl]methylsulfanylmethyl]benzoic acid
- 3-[[[6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-(4-phenylbutoxy)-2-pyridyl]methylthio]methyl]benzoic acid
- 3-[[6-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoic acid
- 3-[[[6-[(E)-3-hydroxy-3-keto-prop-1-enyl]-5-(4-phenylbutoxy)-2-pyridyl]methylthio]methyl]benzoic acid
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | leukotriene B4 receptor | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Toxoplasma gondii | 2,4-dienoyl CoA reductase 2, peroxisomal family protein | 0.0085 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | dehydrogenase/decarboxylase protein | 0.0085 | 1 | 0.5 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | hydroxyacyl dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Giardia lamblia | Hypothetical protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable dehydrogenase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short chain alcohol dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Plasmodium falciparum | oxidoreductase, short-chain dehydrogenase family, putative | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | oxidoreductase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | carbonyl reductase | 0.0085 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | 3-keto-dihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Onchocerca volvulus | Dehydrogenase\/reductase SDR family member 13 homolog | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Leishmania major | 3-keto-dihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | 3-ketoacyl-ACP reductase | 0.0085 | 1 | 0.5 |
| Toxoplasma gondii | oxidoreductase, putative | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Echinococcus granulosus | retinol dehydrogenase 11 | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Echinococcus granulosus | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0085 | 1 | 1 |
| Leishmania major | pteridine reductase 1 | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Giardia lamblia | Short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Echinococcus granulosus | epidermal retinal dehydrogenase 2 | 0.0085 | 1 | 1 |
| Brugia malayi | Hypothetical oxidoreductase F56D1.5 | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | quinonoid dihydropteridine reductase, putative | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | Short-chain alcohol dehydrogenase family enzyme | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium leprae | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | short chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.0085 | 1 | 0.5 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | short chain dehydrogenase/reductase, putative | 0.0085 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | carveol-like dehydrogenase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable shortchain dehydrogenase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Trypanosoma brucei | beta-ketoacyl-ACP reductase 3, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Leishmania major | short chain dehydrogenase-like protein | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Echinococcus multilocularis | retinol dehydrogenase 11 | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | short chain dehydrogenase/reductase family oxidoreductase | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Possible oxidoreductase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible short-chain dehydrogenase EphD | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Trichomonas vaginalis | steroid dehydrogenase, putative | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenases/reductase, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | retinol dehydrogenase 13 | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Leishmania major | short chain dehydrogenase/reductase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | retinol dehydrogenase 11 | 0.0085 | 1 | 1 |
| Plasmodium vivax | steroid dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | 3-alpha-hydroxysteroid dehydrogenase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | oxidoreductase | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | NAD(P)-dependent oxidoreductase, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Echinococcus granulosus | oxidoreductase | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Mycobacterium leprae | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Trypanosoma brucei | beta-ketoacyl-ACP reductase 2 | 0.0085 | 1 | 1 |
| Trypanosoma brucei | beta-D-hydroxybutyrate dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Possible fatty acyl-CoA reductase | 0.0085 | 1 | 0.5 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Leishmania major | short chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | estradiol 17 beta-dehydrogenase, putative | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | short chain dehydrogenase/reductase, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type oxidoreductase | 0.0085 | 1 | 0.5 |
| Giardia lamblia | Reductase, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 | 0.0085 | 1 | 0.5 |
| Toxoplasma gondii | oxidoreductase, putative | 0.0085 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Brugia malayi | dehydrogenases, short chain protein 9 | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type oxidoreductase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | oxidoreductase-like protein, putative | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Plasmodium falciparum | conserved Plasmodium protein, unknown function | 0.0085 | 1 | 1 |
| Brugia malayi | D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Entamoeba histolytica | short chain dehydrogenase family protein | 0.0085 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | estradiol 17 beta dehydrogenase 12 | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | dehydrogenase | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short-chain dehydrogenase/reductase | 0.0085 | 1 | 1 |
| Leishmania major | short chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Echinococcus granulosus | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium leprae | Possible short-chain dehydrogenase EphD | 0.0085 | 1 | 0.5 |
| Brugia malayi | Retinol dehydrogenase 12 | 0.0085 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Possible oxidoreductase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | 3 ketodihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | oxidoreductase | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Brugia malayi | 3-hydroxyacyl-CoA dehydrogenase type II | 0.0085 | 1 | 1 |
| Schistosoma mansoni | 3-keto-dihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain membrane-associated dehydrogenase | 0.0085 | 1 | 0.5 |
| Toxoplasma gondii | 3-ketoacyl-CoA reductase, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | oxidoreductase short chain dehydrogenase/reductase family | 0.0085 | 1 | 1 |
| Brugia malayi | Dehydrogenases, short chain protein 30 | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | 3-ketoacyl-CoA reductase, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Toxoplasma gondii | sterol carrier protein-2 HAD-2SCP-2 | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Mycobacterium ulcerans | dehydrogenase | 0.0085 | 1 | 0.5 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | carbonyl reductase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Echinococcus granulosus | 3 ketodihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | retinal dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium leprae | PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE | 0.0085 | 1 | 0.5 |
| Trypanosoma brucei | oxidoreductase-like protein | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Brugia malayi | dehydrogenases, short chain protein 2 | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Leishmania major | dehydrogenase-like protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Entamoeba histolytica | oxidoreductase, short chain dehydrogenase/reductase family | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Leishmania major | 3-oxoacyl-(acyl-carrier protein) reductase, putative | 0.0085 | 1 | 1 |
| Entamoeba histolytica | estradiol 17-beta-dehydrogenase, putative | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | 3-ketoacyl-CoA reductase, putative | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Entamoeba histolytica | 3-ketodihydrosphingosine reductase protein, putative | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | beta-ketoacyl-ACP reductase 2, putative | 0.0085 | 1 | 1 |
| Leishmania major | short chain dehydrogenase/reductase, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Possible iron-regulated short-chain dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Echinococcus multilocularis | transient receptor potential cation channel | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Entamoeba histolytica | short chain dehydrogenase family protein | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Echinococcus granulosus | retinol dehydrogenase 11 | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | short chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Onchocerca volvulus | Dehydrogenase\/reductase SDR family member 1 homolog | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Plasmodium falciparum | steroid dehydrogenase, putative | 0.0085 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Echinococcus granulosus | Dehydrogenase:reductase SDR family | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible ketoacyl reductase | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | NAD(P)-dependent oxidoreductase, putative | 0.0085 | 1 | 1 |
| Leishmania major | oxidoreductase-like protein | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | epidermal retinal dehydrogenase 2 | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Echinococcus granulosus | WW domain containing oxidoreductase | 0.0085 | 1 | 1 |
| Mycobacterium leprae | ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE | 0.0085 | 1 | 0.5 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium leprae | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | Dehydrogenase:reductase SDR family | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Trypanosoma brucei | 3-ketoacyl-CoA reductase, putative | 0.0085 | 1 | 1 |
| Brugia malayi | Dehydrogenases, short chain protein 2 | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Entamoeba histolytica | estradiol 17-beta-dehydrogenase, putative | 0.0085 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0085 | 1 | 1 |
| Trypanosoma brucei | 3-keto-dihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Onchocerca volvulus | Dehydrogenase\/reductase SDR family member 13 homolog | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | dehydrogenase | 0.0085 | 1 | 1 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Toxoplasma gondii | carbonyl reductase 1, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Decaprenylphosphoryl-D-2-keto erythro pentose reductase | 0.0085 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Schistosoma mansoni | 3-hydroxyacyl-CoA dehydrogenase | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | beta-ketoacyl-ACP reductase 2, putative | 0.0085 | 1 | 1 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Schistosoma mansoni | carbonyl reductase | 0.0085 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | conserved hypothetical protein | 0.0085 | 1 | 1 |
| Giardia lamblia | Oxidoreductase, short chain dehydrogenase/reductase family | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Onchocerca volvulus | Sepiapterin reductase homolog | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | oxidoreductase-like protein, putative | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.0085 | 1 | 0.5 |
| Entamoeba histolytica | estradiol 17-beta-dehydrogenase, putative | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | 3-keto-dihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | = 500 nM | Concentration of test compound required to inhibit 50% LTB4-induced calcium mobilization in intact human PMNs | ChEMBL. | 7932560 |
| IC50 (functional) | = 500 nM | Concentration of test compound required to inhibit 50% LTB4-induced calcium mobilization in intact human PMNs | ChEMBL. | 7932560 |
| IC50 (functional) | = 1700 nM | Concentration of test compound required to inhibit 50% LTB4-induced degranulation of human PMNs | ChEMBL. | 7932560 |
| IC50 (functional) | = 1700 nM | Concentration of test compound required to inhibit 50% LTB4-induced degranulation of human PMNs | ChEMBL. | 7932560 |
| Ki (binding) | = 4.8 nM | Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. | ChEMBL. | 7932560 |
| Ki (binding) | = 4.8 nM | Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. | ChEMBL. | 7932560 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | 7932560 |
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: CHEMBL115658
- PubChem: 10050724
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.