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
Hover on a compound node to display the structore
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 |
|---|---|---|---|---|
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium leprae | PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Trypanosoma brucei | beta-D-hydroxybutyrate dehydrogenase | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Trypanosoma brucei | beta-ketoacyl-ACP reductase 2 | 0.0085 | 1 | 1 |
| Trypanosoma brucei | 3-ketoacyl-CoA reductase, putative | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain membrane-associated dehydrogenase | 0.0085 | 1 | 0.5 |
| Mycobacterium leprae | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | 3-alpha-hydroxysteroid dehydrogenase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Toxoplasma gondii | sterol carrier protein-2 HAD-2SCP-2 | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | NAD(P)-dependent oxidoreductase, putative | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable dehydrogenase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | 3-keto-dihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Possible iron-regulated short-chain dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 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 |
| Trypanosoma cruzi | short chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | estradiol 17 beta dehydrogenase 12 | 0.0085 | 1 | 1 |
| Schistosoma mansoni | retinal dehydrogenase | 0.0085 | 1 | 1 |
| Plasmodium vivax | hypothetical protein, conserved | 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 type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Echinococcus multilocularis | retinol dehydrogenase 13 | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short-chain dehydrogenase/reductase | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | short chain dehydrogenase/reductase, 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 | dehydrogenase-like protein | 0.0085 | 1 | 1 |
| Leishmania major | 3-keto-dihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Echinococcus granulosus | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0085 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Giardia lamblia | Reductase, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Possible fatty acyl-CoA reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Decaprenylphosphoryl-D-2-keto erythro pentose reductase | 0.0085 | 1 | 0.5 |
| Toxoplasma gondii | carbonyl reductase 1, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Possible oxidoreductase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0085 | 1 | 1 |
| Entamoeba histolytica | short chain dehydrogenase family protein | 0.0085 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Leishmania major | short chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type oxidoreductase | 0.0085 | 1 | 0.5 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Trypanosoma brucei | beta-ketoacyl-ACP reductase 3, putative | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Toxoplasma gondii | 2,4-dienoyl CoA reductase 2, peroxisomal family protein | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | short chain dehydrogenase/reductase, putative | 0.0085 | 1 | 1 |
| Echinococcus granulosus | retinol dehydrogenase 11 | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Entamoeba histolytica | 3-ketodihydrosphingosine reductase protein, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | short chain dehydrogenase/reductase family oxidoreductase | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | steroid dehydrogenase, putative | 0.0085 | 1 | 1 |
| Giardia lamblia | Oxidoreductase, short chain dehydrogenase/reductase family | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family 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 tuberculosis | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Entamoeba histolytica | oxidoreductase, short chain dehydrogenase/reductase family | 0.0085 | 1 | 1 |
| Brugia malayi | dehydrogenases, short chain protein 9 | 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 cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Brugia malayi | Dehydrogenases, short chain protein 30 | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | dehydrogenase/decarboxylase protein | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Plasmodium falciparum | steroid dehydrogenase, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | retinol dehydrogenase 11 | 0.0085 | 1 | 1 |
| Trypanosoma brucei | oxidoreductase-like protein | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Entamoeba histolytica | estradiol 17-beta-dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.0085 | 1 | 0.5 |
| Schistosoma mansoni | oxidoreductase short chain dehydrogenase/reductase family | 0.0085 | 1 | 1 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Echinococcus granulosus | WW domain containing oxidoreductase | 0.0085 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Leishmania major | 3-oxoacyl-(acyl-carrier protein) reductase, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Onchocerca volvulus | Sepiapterin reductase homolog | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Plasmodium falciparum | oxidoreductase, short-chain dehydrogenase family, putative | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Entamoeba histolytica | estradiol 17-beta-dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Possible ketoacyl reductase | 0.0085 | 1 | 0.5 |
| Entamoeba histolytica | estradiol 17-beta-dehydrogenase, putative | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | dehydrogenase | 0.0085 | 1 | 1 |
| Echinococcus granulosus | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Entamoeba histolytica | short chain dehydrogenase family protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | 3 ketodihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Trichomonas vaginalis | short-chain dehydrogenases/reductase, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | conserved hypothetical protein | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Possible oxidoreductase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | 3-ketoacyl-CoA reductase, putative | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | transient receptor potential cation channel | 0.0085 | 1 | 1 |
| Schistosoma mansoni | carbonyl reductase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | oxidoreductase | 0.0085 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Entamoeba histolytica | hypothetical 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 |
| Mycobacterium tuberculosis | Possible short-chain dehydrogenase EphD | 0.0085 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short chain alcohol dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | oxidoreductase-like protein, putative | 0.0085 | 1 | 1 |
| Plasmodium falciparum | conserved Plasmodium protein, unknown function | 0.0085 | 1 | 1 |
| Mycobacterium leprae | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 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 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | 3-keto-dihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Leishmania major | oxidoreductase-like protein | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Plasmodium vivax | steroid dehydrogenase, putative | 0.0085 | 1 | 1 |
| Brugia malayi | Hypothetical oxidoreductase F56D1.5 | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Echinococcus granulosus | oxidoreductase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | Dehydrogenase:reductase SDR family | 0.0085 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | carbonyl reductase | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 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 |
| Leishmania major | short chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | beta-ketoacyl-ACP reductase 2, putative | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | oxidoreductase-like protein, putative | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Mycobacterium leprae | Probable oxidoreductase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | 3-ketoacyl-CoA reductase, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable shortchain dehydrogenase | 0.0085 | 1 | 0.5 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Mycobacterium ulcerans | carveol-like dehydrogenase | 0.0085 | 1 | 0.5 |
| Onchocerca volvulus | Dehydrogenase\/reductase SDR family member 13 homolog | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Brugia malayi | D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | oxidoreductase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | estradiol 17 beta-dehydrogenase, putative | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | hydroxyacyl dehydrogenase, putative | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | NAD(P)-dependent oxidoreductase, putative | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Echinococcus granulosus | 3 ketodihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, putative | 0.0085 | 1 | 1 |
| Brugia malayi | dehydrogenases, short chain protein 2 | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Toxoplasma gondii | 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 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium leprae | Possible short-chain dehydrogenase EphD | 0.0085 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | 3-ketoacyl-ACP reductase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0085 | 1 | 1 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Brugia malayi | 3-hydroxyacyl-CoA dehydrogenase type II | 0.0085 | 1 | 1 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | oxidoreductase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Trypanosoma brucei | 3-keto-dihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Toxoplasma gondii | 3-ketoacyl-CoA reductase, putative | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Leishmania major | short chain dehydrogenase-like protein | 0.0085 | 1 | 1 |
| Echinococcus granulosus | Dehydrogenase:reductase SDR family | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Brugia malayi | Dehydrogenases, short chain protein 2 | 0.0085 | 1 | 1 |
| Onchocerca volvulus | 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 dehydrogenase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0085 | 1 | 1 |
| Schistosoma mansoni | carbonyl reductase | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Giardia lamblia | Short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | dehydrogenase | 0.0085 | 1 | 0.5 |
| Leishmania major | pteridine reductase 1 | 0.0085 | 1 | 1 |
| Leishmania major | short chain dehydrogenase/reductase, putative | 0.0085 | 1 | 1 |
| Echinococcus multilocularis | epidermal retinal dehydrogenase 2 | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Toxoplasma gondii | oxidoreductase, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Echinococcus multilocularis | retinol dehydrogenase 11 | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | short chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0085 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 1 | 1 |
| Onchocerca volvulus | Dehydrogenase\/reductase SDR family member 1 homolog | 0.0085 | 1 | 0.5 |
| Giardia lamblia | Hypothetical protein | 0.0085 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type oxidoreductase | 0.0085 | 1 | 0.5 |
| Onchocerca volvulus | 0.0085 | 1 | 0.5 | |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | quinonoid dihydropteridine reductase, putative | 0.0085 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 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 |
| Schistosoma mansoni | 3-keto-dihydrosphingosine reductase | 0.0085 | 1 | 1 |
| Echinococcus granulosus | epidermal retinal dehydrogenase 2 | 0.0085 | 1 | 1 |
| Trypanosoma cruzi | beta-ketoacyl-ACP reductase 2, putative | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Loa Loa (eye worm) | dehydrogenase | 0.0085 | 1 | 1 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0085 | 1 | 1 |
| Leishmania major | short chain dehydrogenase/reductase, putative | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Mycobacterium leprae | ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE | 0.0085 | 1 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Echinococcus granulosus | hypothetical protein | 0.0085 | 1 | 1 |
| Brugia malayi | Retinol dehydrogenase 12 | 0.0085 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0085 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| 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 tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0085 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0085 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0085 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/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 |
| Schistosoma mansoni | 3-hydroxyacyl-CoA dehydrogenase | 0.0085 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0085 | 1 | 0.5 |
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.