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