Detailed information for compound 67785

Basic information

Technical information
  • TDR Targets ID: 67785
  • Name: 2-[1-(4-chlorobenzoyl)-2-methyl-5-(4-oxo-4-pe ntan-3-yloxybutanoyl)oxyindol-3-yl]acetic aci d
  • MW: 513.967 | Formula: C27H28ClNO7
  • H donors: 1 H acceptors: 5 LogP: 5.39 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC(OC(=O)CCC(=O)Oc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C)CC
  • InChi: 1S/C27H28ClNO7/c1-4-19(5-2)35-25(32)12-13-26(33)36-20-10-11-23-22(14-20)21(15-24(30)31)16(3)29(23)27(34)17-6-8-18(28)9-7-17/h6-11,14,19H,4-5,12-13,15H2,1-3H3,(H,30,31)
  • InChiKey: HAVNLBBNEXPRRU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[1-(4-chlorobenzoyl)-5-[4-(1-ethylpropoxy)-4-oxo-butanoyl]oxy-2-methyl-indol-3-yl]acetic acid
  • 2-[1-[(4-chlorophenyl)-oxomethyl]-5-[4-(1-ethylpropoxy)-1,4-dioxobutoxy]-2-methyl-3-indolyl]acetic acid
  • 2-[1-(4-chlorophenyl)carbonyl-2-methyl-5-(4-oxo-4-pentan-3-yloxy-butanoyl)oxy-indol-3-yl]ethanoic acid
  • 2-[1-(4-chlorobenzoyl)-5-[4-(1-ethylpropoxy)-4-keto-butanoyl]oxy-2-methyl-indol-3-yl]acetic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus 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 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
Onchocerca volvulus 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
Giardia lamblia Aldose reductase 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
Trypanosoma cruzi 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 major aldo-keto reductase-like protein 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
Leishmania braziliensis aldo-keto reductase-like 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
Trypanosoma congolense prostaglandin f synthase, putative 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
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
Leishmania mexicana aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus 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
Echinococcus granulosus hypothetical protein 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
Leishmania braziliensis aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldehyde reductase 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
Neospora caninum Oxidoreductase, aldo/keto reductase family, related Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium ulcerans oxidoreductase 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
Loa Loa (eye worm) oxidoreductase 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
Loa Loa (eye worm) oxidoreductase 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 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
Trypanosoma cruzi aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium tuberculosis Probable oxidoreductase 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
Echinococcus granulosus aldehyde 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
Mycobacterium leprae PROBABLE 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
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase 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
Loa Loa (eye worm) oxidoreductase 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
Entamoeba histolytica aldose 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
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
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
Loa Loa (eye worm) hypothetical 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
Trypanosoma brucei gambiense prostaglandin f synthase. putative 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
Giardia lamblia Aldose reductase 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
Leishmania infantum aldo-keto reductase-like 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
Trichomonas vaginalis dihydrodiol dehydrogenase, 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
Echinococcus granulosus 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 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 granulosus aldo keto reductase 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 infantum aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus 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
Onchocerca volvulus 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
Echinococcus granulosus 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
Leishmania mexicana prostaglandin f2-alpha synthase 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 multilocularis aldo keto reductase family 1, member B4 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 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
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 multilocularis aldo keto reductase 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
Echinococcus granulosus 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
Echinococcus multilocularis aldo keto reductase 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
Schistosoma japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 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
Leishmania donovani prostaglandin f2-alpha synthase 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
Trichomonas vaginalis 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
Leishmania infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 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
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
Echinococcus granulosus 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
Candida albicans see also nonallelic CaP19.2244 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
Trichomonas vaginalis aldo/keto reductase, putative 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
Schistosoma mansoni pol-related 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
Leishmania major aldehyde reductase, putative,oxidoreductase, 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 brucei prostaglandin f synthase 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
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   315 aa 294 aa 35.4 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   315 aa 279 aa 29.7 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   315 aa 319 aa 18.2 %
Candida albicans similar to putative aryl alcohol dehydrogenase family Aldose reductase   315 aa 314 aa 18.2 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   315 aa 294 aa 35.4 %
Onchocerca volvulus Multiple coagulation factor deficiency protein 2 homolog Aldose reductase   315 aa 323 aa 40.2 %
Trypanosoma cruzi aldo/keto reductase, putative Aldose reductase   315 aa 304 aa 29.3 %
Candida albicans putative aryl alcohol dehydrogenase Aldose reductase   315 aa 326 aa 20.9 %
Mycobacterium tuberculosis Conserved protein Aldose reductase   315 aa 323 aa 25.4 %
Onchocerca volvulus Aldose reductase   315 aa 316 aa 36.7 %
Mycobacterium ulcerans hypothetical protein Aldose reductase   315 aa 322 aa 24.8 %
Onchocerca volvulus Aldose reductase   315 aa 324 aa 39.8 %
Neospora caninum aldo/keto reductase family oxidoreductase, putative Aldose reductase   315 aa 291 aa 21.3 %
Toxoplasma gondii aldo/keto reductase family oxidoreductase Aldose reductase   315 aa 294 aa 24.8 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   315 aa 319 aa 19.7 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   315 aa 279 aa 29.7 %
Leishmania mexicana aldo/keto reductase, putative,aldo/keto reductase family-like protein Aldose reductase   315 aa 349 aa 25.2 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   315 aa 319 aa 19.7 %
Candida albicans putative aryl alcohol dehydrogenase Aldose reductase   315 aa 310 aa 20.0 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   315 aa 319 aa 18.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0076 0.0469 0.0477
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0124 0.0076
Echinococcus multilocularis ecdysone induced protein 78C 0.0076 0.0469 0.0488
Loa Loa (eye worm) hypothetical protein 0.0076 0.0469 0.0477
Loa Loa (eye worm) steroid hormone receptor 0.0076 0.0469 0.0477
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0922 0.8678 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0206 0.0172
Loa Loa (eye worm) oxidoreductase 0.0038 0.0107 0.0058
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0107 0.0112
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0076 0.0469 0.0477
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Schistosoma mansoni thyroid hormone receptor 0.0076 0.0469 0.0414
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0076 0.0469 0.0414
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0107 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0076 0.0469 0.0469
Echinococcus granulosus aldo keto reductase 0.0038 0.0107 0.0107
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0107 0.0112
Echinococcus granulosus geminin 0.0165 0.1334 0.1334
Brugia malayi conserved hypotetical protein 0.0036 0.0082 0.0028
Giardia lamblia Aldose reductase 0.0038 0.0107 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0076 0.0469 0.0477
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0076 0.0469 0.0488
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.0469 0.0488
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0107 0.0058
Echinococcus multilocularis aldo keto reductase 0.0038 0.0107 0.0112
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0076 0.0076
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.004 0.0124 0.0124
Schistosoma mansoni nuclear hormone receptor 0.0076 0.0469 0.0414
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0036 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.004 0.0124 0.0076
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0107 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0107 0.0112
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0076 0.0469 0.0477
Loa Loa (eye worm) hypothetical protein 0.0076 0.0469 0.0477
Schistosoma mansoni nuclear receptor nhr-48 0.0036 0.0082 0.0025
Onchocerca volvulus 0.0038 0.0107 0.0651
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0107 0.0112
Loa Loa (eye worm) oxidoreductase 0.0038 0.0107 0.0058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0076 0.0469 0.0477
Schistosoma mansoni pol-related 0.0038 0.0107 0.005
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.004 0.0124 0.0066
Brugia malayi ecdysteroid receptor 0.0076 0.0469 0.0477
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0038 0.0107 1
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0082 0.0025
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0107 0.0107
Loa Loa (eye worm) nuclear hormone receptor 0.0036 0.0082 0.0028
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0922 0.8678 0.9028
Echinococcus granulosus nuclear receptor nhr 48 0.0036 0.0082 0.0082
Echinococcus multilocularis transcription factor Dp 1 0.0534 0.4912 0.511
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0082 0.0082
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0036 0.0082 0.0028
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0107 0.0107
Echinococcus granulosus aldo keto reductase 0.0038 0.0107 0.0107
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0076 0.0469 0.0469
Onchocerca volvulus Bile acid receptor homolog 0.0076 0.0469 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0076 0.0469 0.0469
Brugia malayi hypothetical protein 0.004 0.0124 0.0076
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0076 0.0469 0.0414
Brugia malayi nuclear receptor RXR 0.004 0.0124 0.0076
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0107 0.0112
Loa Loa (eye worm) hypothetical protein 0.004 0.0124 0.0076
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.0469 0.0488
Echinococcus multilocularis FTZ F1 alpha 0.0076 0.0469 0.0488
Toxoplasma gondii aldose reductase, putative 0.0038 0.0107 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0076 0.0469 0.0477
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0206 0.0172
Onchocerca volvulus 0.0038 0.0107 0.0651
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0036 0.0082 0.0025
Brugia malayi Steroid receptor seven-up type 2 0.0076 0.0469 0.0477
Loa Loa (eye worm) hypothetical protein 0.0076 0.0469 0.0477
Echinococcus granulosus FTZ F1 alpha 0.0076 0.0469 0.0469
Echinococcus multilocularis aldo keto reductase 0.0038 0.0107 0.0112
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.0469 0.0469
Brugia malayi Nuclear hormone receptor E75 0.0036 0.0082 0.0028
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0076 0.0469 0.0477
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0076 0.0469 0.0469
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0076 0.0469 0.0477
Onchocerca volvulus Protein ultraspiracle homolog 0.0076 0.0469 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0036 0.0082 0.0086
Entamoeba histolytica aldose reductase, putative 0.0038 0.0107 0.0037
Loa Loa (eye worm) hypothetical protein 0.0076 0.0469 0.0477
Brugia malayi nuclear hormone receptor family member nhr-6 0.0036 0.0082 0.0028
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0922 0.8678 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0107 0.0058
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.004 0.0124 0.0129
Loa Loa (eye worm) oxidoreductase 0.0038 0.0107 0.0058
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Schistosoma mansoni thyroid hormone receptor 0.0076 0.0469 0.0414
Onchocerca volvulus 0.0038 0.0107 0.0651
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0076 0.0469 0.0477
Schistosoma mansoni RAR-like nuclear receptor 0.0076 0.0469 0.0414
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0076 0.0469 0.0477
Schistosoma mansoni nuclear receptor 0.0036 0.0082 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0076 0.0469 0.0477
Schistosoma mansoni aldo-keto reductase 0.0038 0.0107 0.005
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Brugia malayi ecdysone receptor 0.0036 0.0082 0.0028
Brugia malayi hypothetical protein 0.0036 0.0082 0.0028
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0922 0.8678 0.8671
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0036 0.0082 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0076 0.0469 0.0477
Brugia malayi nuclear receptor NHR-88 0.0076 0.0469 0.0477
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0107 0.0107
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0922 0.8678 0.8678
Loa Loa (eye worm) hypothetical protein 0.004 0.0124 0.0076
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0076 0.0079
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0107 0.0058
Schistosoma mansoni coup transcription factor 0.0076 0.0469 0.0414
Mycobacterium tuberculosis Probable oxidoreductase 0.0038 0.0107 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Echinococcus multilocularis nuclear receptor nhr 48 0.0036 0.0082 0.0086
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.004 0.0124 0.0076
Echinococcus granulosus Nuclear hormone receptor HR96 0.0036 0.0082 0.0082
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0107 0.0107
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0076 0.0469 0.0477
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0107 0.0107
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0076 0.0469 0.0414
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1019 0.9613 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0076 0.0469 0.0477
Brugia malayi hypothetical protein 0.004 0.0124 0.0076
Brugia malayi nuclear hormone receptor 0.0036 0.0082 0.0028
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0206 0.0172
Schistosoma mansoni steroid hormone receptor ad4bp 0.0076 0.0469 0.0414
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0076 0.0469 0.0414
Loa Loa (eye worm) hypothetical protein 0.0076 0.0469 0.0477
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0107 0.0107
Brugia malayi nuclear receptor NHR-88 0.0036 0.0082 0.0028
Brugia malayi nuclear receptor NHR-67 0.0036 0.0082 0.0028
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0107 0.5
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0922 0.8678 1
Brugia malayi tailless protein 0.0036 0.0082 0.0028
Loa Loa (eye worm) nuclear receptor NHR-67 0.0036 0.0082 0.0028
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0036 0.0082 0.0025
Echinococcus granulosus thyroid hormone receptor alpha 0.0036 0.0082 0.0082
Echinococcus granulosus Nuclear hormone receptor HR96 0.0036 0.0082 0.0082
Echinococcus granulosus aldo keto reductase 0.0038 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0076 0.0469 0.0477
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0107 0.5
Onchocerca volvulus 0.0038 0.0107 0.0651
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0076 0.0469 0.0488
Loa Loa (eye worm) hypothetical protein 0.0038 0.0107 0.0058
Brugia malayi nuclear hormone receptor family member odr-7 0.0036 0.0082 0.0028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0082 0.0086
Brugia malayi photoreceptor-specific nuclear receptor 0.0076 0.0469 0.0477
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0107 0.0058
Brugia malayi nuclear receptor RXR 0.0036 0.0082 0.0028
Onchocerca volvulus 0.0038 0.0107 0.0651
Loa Loa (eye worm) DR-78 0.0036 0.0082 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0076 0.0469 0.0477
Giardia lamblia Aldose reductase 0.0038 0.0107 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0076 0.0469 0.0477
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0076 0.0469 0.0477
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0206 0.0172
Schistosoma mansoni hypothetical protein 0.0165 0.1334 0.1283
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0922 0.8678 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0107 0.0112
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0922 0.8678 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0076 0.0469 0.0488
Loa Loa (eye worm) hypothetical protein 0.004 0.0124 0.0076
Brugia malayi orphan nuclear receptor NR2E1 0.0036 0.0082 0.0028
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0107 0.0112
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0107 0.0112
Schistosoma mansoni retinoic acid receptor RXR 0.1059 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0124 0.0076
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0107 0.0112
Brugia malayi hypothetical protein 0.0035 0.0076 0.0021
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0076 0.0018
Brugia malayi hypothetical protein 0.0036 0.0082 0.0028
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0107 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.0124 0.0066
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0107 0.0107
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0076 0.0469 0.0414
Echinococcus multilocularis aldo keto reductase 0.0038 0.0107 0.0112
Entamoeba histolytica aldose reductase, putative 0.0038 0.0107 0.0037
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0076 0.0469 0.0469
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.0469 0.0469
Brugia malayi steroid hormone receptor 0.0076 0.0469 0.0477
Schistosoma mansoni nuclear receptor 0.0036 0.0082 0.0025
Echinococcus granulosus hypothetical protein 0.0038 0.0107 0.0107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0076 0.0469 0.0477
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0107 0.0112
Schistosoma mansoni zinc finger protein 0.0036 0.0082 0.0025
Echinococcus multilocularis aldo keto reductase 0.0038 0.0107 0.0112
Echinococcus granulosus transcription factor Dp 1 0.0534 0.4912 0.4912
Loa Loa (eye worm) hypothetical protein 0.0076 0.0469 0.0477
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0076 0.0469 0.0477
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0036 0.0082 0.0028
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Onchocerca volvulus 0.0038 0.0107 0.0651
Schistosoma mansoni hypothetical protein 0.0035 0.0076 0.0018
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0922 0.8678 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Echinococcus multilocularis geminin 0.0165 0.1334 0.1388
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0082 0.0025
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Onchocerca volvulus 0.0076 0.0469 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0028
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0922 0.8678 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0036 0.0082 0.0086
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0107 0.0112
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0107 0.0107
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0076 0.0469 0.0477
Loa Loa (eye worm) hypothetical protein 0.0076 0.0469 0.0477
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0124 0.0076
Loa Loa (eye worm) oxidoreductase 0.0038 0.0107 0.0058
Brugia malayi nuclear hormone receptor 0.0076 0.0469 0.0477
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0076 0.0469 0.0414
Loa Loa (eye worm) oxidoreductase 0.0038 0.0107 0.0058
Echinococcus multilocularis thyroid hormone receptor alpha 0.0076 0.0469 0.0488
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0107 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0076 0.0469 0.0477
Brugia malayi Nuclear hormone receptor E75 0.0036 0.0082 0.0028
Schistosoma mansoni aldo-keto reductase 0.0038 0.0107 0.005
Mycobacterium ulcerans oxidoreductase 0.0038 0.0107 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0076 0.0469 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0076 0.0469 0.0488
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0107 0.5
Entamoeba histolytica aldose reductase, putative 0.0038 0.0107 0.0037
Schistosoma mansoni hypothetical protein 0.0165 0.1334 0.1283

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.54 uM Inhibition of Aldose reductase (AR) ChEMBL. 11356107
IC50 (binding) = 0.54 uM Inhibition of Aldose reductase (AR) ChEMBL. 11356107

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.

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