Detailed information for compound 23773

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 393.459 | Formula: C21H19N3O3S
  • H donors: 1 H acceptors: 4 LogP: 4.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cc1nn(Cc2nc3c(s2)cccc3)c(=O)c2c1ccc(c2)C(C)C
  • InChi: 1S/C21H19N3O3S/c1-12(2)13-7-8-14-15(9-13)21(27)24(23-17(14)10-20(25)26)11-19-22-16-5-3-4-6-18(16)28-19/h3-9,12H,10-11H2,1-2H3,(H,25,26)
  • InChiKey: LEEYZARWUNQHRE-UHFFFAOYSA-N  


Substructure search Similarity search

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 aldo-keto reductase family 1, member B1 (aldose reductase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae Conserved hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei prostaglandin f synthase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae PROBABLE OXIDOREDUCTASE Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Toxoplasma gondii aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Neospora caninum Oxidoreductase, aldo/keto reductase family, related Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense prostaglandin f synthase. putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum IPR001395,Aldo/keto reductase,domain-containing Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldehyde reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium ulcerans oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni pol-related Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium tuberculosis Probable oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Conserved protein aldo-keto reductase family 1, member B1 (aldose reductase) 316 aa 325 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis aldo keto reductase 0.0038 0.0013 0.0013
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0013 0.0013
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0076 1 1
Schistosoma mansoni hypothetical protein 0.0076 1 1
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0076 1 1
Loa Loa (eye worm) oxidoreductase 0.0038 0.0013 0.0013
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0076 1 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0076 1 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0076 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0013 0.5
Loa Loa (eye worm) oxidoreductase 0.0038 0.0013 0.0013
Loa Loa (eye worm) cytochrome P450 0.0076 1 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0076 1 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.0013 0.0013
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0013 0.0013
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Brugia malayi Cytochrome P450 family protein 0.0076 1 1
Schistosoma mansoni cytochrome P450 0.0076 1 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0076 1 1
Onchocerca volvulus 0.0038 0.0013 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0013 0.5
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0076 1 1
Leishmania major cytochrome p450-like protein 0.0076 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0013 0.0013
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0013 0.0013
Toxoplasma gondii cytochrome p450 superfamily protein 0.0076 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0076 1 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0076 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0013 0.0013
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0013 0.0013
Loa Loa (eye worm) cytochrome P450 family protein 0.0076 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0076 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0076 1 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0076 1 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0076 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0013 0.0013
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0013 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0076 1 1
Entamoeba histolytica aldose reductase, putative 0.0038 0.0013 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0013 0.0013
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0013 0.0013
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0076 1 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0076 1 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0076 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0013 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0076 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Schistosoma mansoni aldo-keto reductase 0.0038 0.0013 0.0013
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0013 0.0013
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0013 0.5
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0076 1 1
Schistosoma mansoni pol-related 0.0038 0.0013 0.0013
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0076 1 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0076 1 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0013 0.0013
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0013 0.5
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0076 1 1
Giardia lamblia Aldose reductase 0.0038 0.0013 0.5
Onchocerca volvulus 0.0038 0.0013 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.0013 0.0013
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0076 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Echinococcus granulosus hypothetical protein 0.0038 0.0013 0.0013
Brugia malayi Cytochrome P450 family protein 0.0076 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0013 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0076 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0076 1 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0076 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Leishmania major cytochrome p450-like protein 0.0076 1 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0076 1 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0076 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Schistosoma mansoni aldo-keto reductase 0.0038 0.0013 0.0013
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0076 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0013 0.0013
Loa Loa (eye worm) oxidoreductase 0.0038 0.0013 0.0013
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0013 0.0013
Loa Loa (eye worm) CYP4Cod1 0.0076 1 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.0013 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0076 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0076 1 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0076 1 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0076 1 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0076 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0013 0.0013
Trypanosoma cruzi cytochrome P450, putative 0.0076 1 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0076 1 1
Mycobacterium leprae putative cytochrome p450 0.0076 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0013 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0076 1 1
Entamoeba histolytica aldose reductase, putative 0.0038 0.0013 0.5
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0076 1 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0076 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0013 0.0013
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0013 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0076 1 1
Onchocerca volvulus 0.0038 0.0013 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0013 0.0013
Loa Loa (eye worm) oxidoreductase 0.0038 0.0013 0.0013
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0013 0.0013
Loa Loa (eye worm) oxidoreductase 0.0038 0.0013 0.0013
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0013 0.0013
Brugia malayi Cytochrome P450 family protein 0.0076 1 1
Giardia lamblia Aldose reductase 0.0038 0.0013 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0076 1 1
Echinococcus granulosus aldo keto reductase 0.0038 0.0013 0.0013
Onchocerca volvulus 0.0038 0.0013 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0076 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0013 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0076 1 1
Brugia malayi cytochrome P450 0.0076 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0013 0.0013
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0013 0.0013
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0076 1 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0076 1 1
Echinococcus granulosus aldo keto reductase 0.0038 0.0013 0.0013
Trypanosoma brucei cytochrome P450, putative 0.0076 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0076 1 1
Entamoeba histolytica aldose reductase, putative 0.0038 0.0013 0.5
Onchocerca volvulus 0.0038 0.0013 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0013 0.0013
Onchocerca volvulus 0.0038 0.0013 1
Echinococcus granulosus cytochrome P450 2K1 0.0076 1 1
Leishmania major cytochrome p450-like protein 0.0076 1 1
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0076 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0076 1 1
Echinococcus granulosus aldo keto reductase 0.0038 0.0013 0.0013
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0076 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0013 0.0013
Echinococcus multilocularis 0.0076 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.00000011 M Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta. ChEMBL. 1899452
IC50 (binding) = 0.00000011 M Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta. ChEMBL. 1899452
Inhibition (functional) 0 % Compound was evaluated in vivo for the inhibition of sorbitol accumulation administered orally at a dose of 5 mg/kg; Not significant ChEMBL. 1899452

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.

External resources for this compound

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.