Detailed information for compound 1580830

Basic information

Technical information
  • TDR Targets ID: 1580830
  • Name: 2-[4-acetamido-3-(4-chlorophenyl)sulfonyl-2-m ethylindol-1-yl]acetic acid
  • MW: 420.867 | Formula: C19H17ClN2O5S
  • H donors: 2 H acceptors: 5 LogP: 2.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cccc2c1c(c(n2CC(=O)O)C)S(=O)(=O)c1ccc(cc1)Cl
  • InChi: 1S/C19H17ClN2O5S/c1-11-19(28(26,27)14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)
  • InChiKey: HVQKOBAIHCZZMN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-acetamido-3-(4-chlorophenyl)sulfonyl-2-methyl-indol-1-yl]acetic acid
  • 2-[4-acetamido-3-(4-chlorophenyl)sulfonyl-2-methyl-1-indolyl]acetic acid
  • 2-[4-acetamido-3-(4-chlorophenyl)sulfonyl-2-methyl-indol-1-yl]ethanoic acid

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
Homo sapiens prostaglandin D2 receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trichomonas vaginalis aldo-keto reductase, 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
Candida albicans similar to mammalian aldo/keto reductases 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
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 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
Mycobacterium tuberculosis Probable oxidoreductase 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
Echinococcus granulosus aldo keto reductase family 1 member B4 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 japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], 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 infantum 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
Leishmania major aldo-keto reductase-like protein 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
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
Leishmania donovani prostaglandin f2-alpha synthase 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 aldehyde 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
Trichomonas vaginalis aldo-keto reductase, putative 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
Leishmania donovani aldo-keto reductase-like protein 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
Candida albicans Aldose 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
Trichomonas vaginalis dihydrodiol dehydrogenase, 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
Leishmania braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 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
Leishmania donovani 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
Trichomonas vaginalis aldo-keto reductase, 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 Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus 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
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
Loa Loa (eye worm) oxidoreductase 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
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
Onchocerca volvulus 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 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
Giardia lamblia Aldose 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
Echinococcus granulosus 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
Giardia lamblia Aldose reductase 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
Leishmania mexicana prostaglandin f synthase, 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
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 granulosus aldo keto reductase family 1 member B4 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
Echinococcus multilocularis aldo keto reductase 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
Schistosoma japonicum IPR001395,Aldo/keto reductase,domain-containing 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 multilocularis aldo keto 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
Trypanosoma brucei 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
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus 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
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 infantum aldo-keto reductase-like protein 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
Leishmania major aldehyde reductase, putative,oxidoreductase, 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 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
Echinococcus granulosus hypothetical protein 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
Loa Loa (eye worm) hypothetical 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
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
Echinococcus multilocularis aldehyde reductase 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
Candida albicans similar to mammalian aldo/keto reductases 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 mansoni pol-related 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
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
Trypanosoma cruzi aldo-keto reductase 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
Trypanosoma brucei prostaglandin f synthase 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
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
Entamoeba histolytica aldose reductase, putative 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
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
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0748 0.1767 0.1767
Trypanosoma cruzi hypothetical protein, conserved 0.0502 0.1174 0.1964
Loa Loa (eye worm) oxidoreductase 0.0038 0.0057 0.0057
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0057 0.01
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0057 0.0088
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Brugia malayi Choline O-acetyltransferase 0.0502 0.1174 0.1123
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0057 0.01
Schistosoma mansoni tyrosine kinase 0.0095 0.0194 0.1656
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0057 0.0088
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0057 0.0088
Trypanosoma brucei hypothetical protein, conserved 0.0502 0.1174 0.6529
Echinococcus granulosus aldo keto reductase 0.0038 0.0057 0.01
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0748 0.1767 0.3077
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0057 0.5
Echinococcus granulosus aldo keto reductase 0.0038 0.0057 0.01
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0057 0.01
Schistosoma mansoni pol-related 0.0038 0.0057 0.0488
Schistosoma mansoni tyrosine kinase 0.0095 0.0194 0.1656
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0057 0.01
Toxoplasma gondii aldose reductase, putative 0.0038 0.0057 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0057 0.0088
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0748 0.1767 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.0057 0.0088
Schistosoma mansoni tyrosine kinase 0.0057 0.0102 0.0873
Trypanosoma cruzi hypothetical protein, conserved 0.0502 0.1174 0.1964
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0057 0.01
Onchocerca volvulus 0.0502 0.1174 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0057 0.01
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0502 0.1174 0.1964
Entamoeba histolytica aldose reductase, putative 0.0038 0.0057 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0057 0.01
Onchocerca volvulus Tyrosine kinase homolog 0.0167 0.0367 0.2779
Schistosoma mansoni choline o-acyltransferase 0.0502 0.1174 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0007 0.0007
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0057 0.01
Trypanosoma cruzi hypothetical protein, conserved 0.0502 0.1174 0.1964
Echinococcus granulosus epidermal growth factor receptor 0.0095 0.0194 0.0339
Mycobacterium ulcerans oxidoreductase 0.0038 0.0057 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0057 0.0088
Loa Loa (eye worm) hypothetical protein 0.0017 0.0007 0.0007
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0057 0.0057
Echinococcus granulosus aldo keto reductase 0.0038 0.0057 0.01
Echinococcus multilocularis aldo keto reductase 0.0038 0.0057 0.0088
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0502 0.1174 0.6529
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0057 0.0088
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0057 0.0088
Loa Loa (eye worm) oxidoreductase 0.0038 0.0057 0.0057
Onchocerca volvulus 0.0502 0.1174 1
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0502 0.1174 0.1964
Mycobacterium tuberculosis Probable oxidoreductase 0.0038 0.0057 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0057 0.01
Loa Loa (eye worm) oxidoreductase 0.0038 0.0057 0.0057
Echinococcus multilocularis epidermal growth factor receptor 0.0095 0.0194 0.0327
Loa Loa (eye worm) TK/EGFR protein kinase 0.0176 0.039 0.039
Onchocerca volvulus 0.0502 0.1174 1
Giardia lamblia Aldose reductase 0.0038 0.0057 0.5
Giardia lamblia Aldose reductase 0.0038 0.0057 0.5
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0748 0.1767 0.3007
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0095 0.0194 0.0339
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0057 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0057 0.0102 0.0178
Echinococcus multilocularis insulin receptor 0.0057 0.0102 0.0167
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0057 0.0102 0.0167
Schistosoma mansoni tyrosine kinase 0.0093 0.019 0.1616
Echinococcus multilocularis aldehyde reductase 0.0027 0.0031 0.0042
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.2398 0.5742 1
Schistosoma mansoni tyrosine kinase 0.0093 0.019 0.1616
Loa Loa (eye worm) hypothetical protein 0.4165 1 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0502 0.1174 0.1123
Brugia malayi Protein kinase domain containing protein 0.0057 0.0102 0.0045
Schistosoma mansoni choline o-acyltransferase 0.0502 0.1174 1
Loa Loa (eye worm) hypothetical protein 0.0502 0.1174 0.1174
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0502 0.1174 0.1964
Loa Loa (eye worm) TK/INSR protein kinase 0.0057 0.0102 0.0102
Leishmania major carnitine/choline acetyltransferase, putative 0.0502 0.1174 0.1964
Echinococcus multilocularis 0.0054 0.0096 0.0155
Echinococcus multilocularis epidermal growth factor receptor 0.0176 0.039 0.0668
Echinococcus granulosus epidermal growth factor receptor 0.0176 0.039 0.0679
Echinococcus multilocularis choline O acetyltransferase 0.0502 0.1174 0.2034
Brugia malayi Immunoglobulin I-set domain containing protein 0.0179 0.0396 0.034
Entamoeba histolytica aldose reductase, putative 0.0038 0.0057 0.5
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0038 0.0057 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0057 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0057 0.5
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0502 0.1174 0.1964
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0057 0.0088
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0057 0.5
Echinococcus granulosus hypothetical protein 0.0038 0.0057 0.01
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0502 0.1174 0.6529
Echinococcus multilocularis aldo keto reductase 0.0038 0.0057 0.0088
Schistosoma mansoni aldo-keto reductase 0.0038 0.0057 0.0488
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Echinococcus granulosus aldehyde reductase 0.0027 0.0031 0.0053
Loa Loa (eye worm) oxidoreductase 0.0038 0.0057 0.0057
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0748 0.1767 0.3069
Onchocerca volvulus 0.0502 0.1174 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0748 0.1767 0.172
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.2398 0.5742 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.2398 0.5742 1
Schistosoma mansoni tyrosine kinase 0.0057 0.0102 0.0873
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Schistosoma mansoni tyrosine kinase 0.0093 0.019 0.1616
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0502 0.1174 0.1964
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0057 0.0088
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.2398 0.5742 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.0057 0.0088
Echinococcus granulosus choline O acetyltransferase 0.0502 0.1174 0.2044
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0502 0.1174 0.6529
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0179 0.0396 0.0396
Trypanosoma cruzi hypothetical protein, conserved 0.0502 0.1174 0.1964
Brugia malayi Furin-like cysteine rich region family protein 0.0176 0.039 0.0335
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.2398 0.5742 1
Schistosoma mansoni aldo-keto reductase 0.0038 0.0057 0.0488
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Echinococcus granulosus insulin receptor 0.0057 0.0102 0.0178
Echinococcus granulosus roundabout 2 0.0017 0.0007 0.0012
Trypanosoma cruzi hypothetical protein, conserved 0.0502 0.1174 0.1964
Leishmania major carnitine palmitoyltransferase-like protein 0.0748 0.1767 0.3007
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0502 0.1174 0.1174
Entamoeba histolytica aldose reductase, putative 0.0038 0.0057 0.5
Loa Loa (eye worm) choline O-acetyltransferase 0.0502 0.1174 0.1174
Schistosoma mansoni tyrosine kinase 0.0176 0.039 0.3322
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0057 0.0088
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0057 0.5
Loa Loa (eye worm) oxidoreductase 0.0038 0.0057 0.0057
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0057 0.5
Onchocerca volvulus 0.0162 0.0356 0.2676
Brugia malayi Choline O-acetyltransferase 0.0502 0.1174 0.1123
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0057 0.0088

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.1 nM Displacement of [3H]PGD2 from human CRTH2 receptor ChEMBL. 21944852
IC50 (binding) = 708 nM Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis ChEMBL. 21944852

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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