Detailed information for compound 51875

Basic information

Technical information
  • TDR Targets ID: 51875
  • Name: 2-(N-(4-methylphenyl)sulfonylanilino)acetic a cid
  • MW: 305.349 | Formula: C15H15NO4S
  • H donors: 1 H acceptors: 4 LogP: 2.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1
  • InChi: 1S/C15H15NO4S/c1-12-7-9-14(10-8-12)21(19,20)16(11-15(17)18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18)
  • InChiKey: IKRNEOSZRFEACP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[N-(p-tolylsulfonyl)anilino]acetic acid
  • 2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanoic acid
  • 2-(N-tosylanilino)acetic acid
  • 2-[(4-methylphenyl)sulfonyl-phenylamino]acetic acid
  • 2-[(4-methylphenyl)sulfonyl-phenyl-amino]acetic acid
  • (((4-Methylphenyl)sulfonyl)anilino)acetic acid
  • AIDS-132618
  • AIDS132618
  • NSC626982
  • NCI60_008547
  • ST067038
  • Oprea1_507923

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Aldose reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Mycobacterium ulcerans oxidoreductase 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus 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 f synthase, putative 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
Leishmania donovani aldehyde reductase, 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
Trypanosoma cruzi aldo/keto 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
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
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
Loa Loa (eye worm) oxidoreductase 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
Leishmania major aldehyde reductase, putative,oxidoreductase, 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
Onchocerca volvulus 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 mexicana aldehyde reductase, putative,oxidoreductase, putative 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
Trypanosoma congolense 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
Entamoeba histolytica aldose reductase, 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 multilocularis 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 aldo-keto reductase, 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
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
Echinococcus granulosus hypothetical protein 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
Neospora caninum Oxidoreductase, aldo/keto reductase family, 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
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
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
Schistosoma mansoni 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 multilocularis aldo keto reductase family 1, member B4 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
Echinococcus granulosus aldo keto reductase 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
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 family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium tuberculosis Probable 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
Candida albicans see also nonallelic CaP19.2244 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
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
Leishmania infantum aldehyde reductase, putative,oxidoreductase, 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
Echinococcus granulosus 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
Toxoplasma gondii aldose 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
Leishmania infantum 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
Candida albicans Aldose reductase 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
Loa Loa (eye worm) oxidoreductase 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
Trypanosoma brucei prostaglandin f 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
Leishmania braziliensis aldo-keto reductase-like protein 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
Trypanosoma brucei gambiense 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
Mycobacterium leprae Conserved 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
Trichomonas vaginalis dihydrodiol dehydrogenase, 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
Candida albicans similar to mammalian aldo/keto reductases 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
Brugia malayi oxidoreductase, aldo/keto reductase family 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
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
Giardia lamblia 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
Echinococcus multilocularis aldehyde 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
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
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
Loa Loa (eye worm) oxidoreductase 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
Leishmania braziliensis aldehyde reductase, putative,oxidoreductase, 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
Schistosoma mansoni aldo-keto 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
Echinococcus granulosus aldehyde reductase 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 putative aryl alcohol dehydrogenase Aldose reductase   316 aa 320 aa 19.4 %
Onchocerca volvulus Multiple coagulation factor deficiency protein 2 homolog Aldose reductase   316 aa 320 aa 40.3 %
Toxoplasma gondii aldo/keto reductase family oxidoreductase Aldose reductase   316 aa 296 aa 26.7 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 281 aa 29.2 %
Onchocerca volvulus Aldose reductase   316 aa 321 aa 40.2 %
Leishmania braziliensis aldo/keto reductase, putative,aldo/keto reductase family-like protein Aldose reductase   316 aa 267 aa 27.3 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 330 aa 18.8 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 330 aa 18.8 %
Mycobacterium ulcerans hypothetical protein Aldose reductase   316 aa 334 aa 24.3 %
Candida albicans putative aryl alcohol dehydrogenase Aldose reductase   316 aa 329 aa 19.8 %
Mycobacterium tuberculosis Conserved protein Aldose reductase   316 aa 335 aa 24.2 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 281 aa 29.2 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   316 aa 277 aa 37.2 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   316 aa 277 aa 37.2 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 320 aa 19.4 %
Neospora caninum aldo/keto reductase family oxidoreductase, putative Aldose reductase   316 aa 295 aa 21.4 %
Candida albicans similar to putative aryl alcohol dehydrogenase family Aldose reductase   316 aa 320 aa 19.7 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 320 aa 19.4 %
Trypanosoma cruzi aldo/keto reductase, putative Aldose reductase   316 aa 309 aa 26.9 %
Onchocerca volvulus Aldose reductase   316 aa 314 aa 37.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis heat shock protein 90 0.0117 0.039 0.039
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0117 0.039 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0119 0.0405 0.6842
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0119 0.0405 0.1054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0138 0.2426
Loa Loa (eye worm) hypothetical protein 0.0067 0.0092 0.1613
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0119 0.0405 0.1054
Trypanosoma brucei heat shock protein, putative 0.0147 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0119 0.0405 0.6842
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0119 0.0405 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0119 0.0405 0.1054
Echinococcus granulosus heat shock protein 0.0147 0.057 0.057
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Toxoplasma gondii heat shock protein 90, putative 0.0147 0.057 1
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Loa Loa (eye worm) heat shock protein 75 0.006 0.0049 0.0853
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0119 0.0405 0.6842
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.0405 0.7111
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0067 0.0092 0.0832
Echinococcus multilocularis endoplasmin 0.0117 0.039 0.039
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Leishmania major hypothetical protein, conserved 0.0621 0.3432 1
Entamoeba histolytica hypothetical protein 0.0067 0.0092 0.0832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0092 0.1613
Trichomonas vaginalis heat shock protein, putative 0.009 0.0228 0.4009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Echinococcus multilocularis heat shock protein 90 0.0147 0.057 0.057
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.006 0.0049 0.0049
Trypanosoma cruzi heat shock protein 90, putative 0.0086 0.0208 0.0491
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0119 0.0405 0.0405
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.006 0.0049 0.0049
Trypanosoma brucei heat shock protein, putative 0.0147 0.057 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0067 0.0092 0.0092
Trypanosoma cruzi Heat shock protein 83, putative 0.0147 0.057 0.1606
Trypanosoma brucei heat shock protein, putative 0.0147 0.057 1
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0075 0.0138 0.172
Schistosoma mansoni endoplasmin 0.0147 0.057 1
Schistosoma mansoni heat shock protein 0.006 0.0049 0.0853
Schistosoma mansoni fkbp-rapamycin associated protein 0.0067 0.0092 0.1613
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Trypanosoma brucei heat shock protein, putative 0.0147 0.057 1
Plasmodium falciparum endoplasmin, putative 0.009 0.0228 0.345
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.0092 0.1613
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0067 0.0092 0.0832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0119 0.0405 0.1099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0119 0.0405 0.7111
Loa Loa (eye worm) endoplasmin 0.0147 0.057 1
Schistosoma mansoni heat shock protein 0.0147 0.057 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0119 0.0405 0.0405
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.006 0.0049 0.5
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0119 0.0405 0.7111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Plasmodium vivax endoplasmin, putative 0.0147 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Brugia malayi Endoplasmin precursor 0.0147 0.057 1
Trypanosoma cruzi heat shock protein 85, putative 0.0147 0.057 0.1606
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0117 0.039 0.039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0092 0.1613
Trichomonas vaginalis heat shock protein, putative 0.0117 0.039 0.6844
Trypanosoma brucei heat shock protein, putative 0.0147 0.057 1
Trypanosoma brucei heat shock protein 90, putative 0.0147 0.057 1
Trypanosoma brucei heat shock protein, putative 0.0147 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.0405 0.7111
Plasmodium vivax heat shock protein 86, putative 0.0147 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Trypanosoma cruzi heat shock protein 85, putative 0.0117 0.039 0.1052
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0119 0.0405 0.1099
Entamoeba histolytica heat shock protein 90, putative 0.0147 0.057 1
Giardia lamblia GTOR 0.0119 0.0405 0.0847
Entamoeba histolytica protein kinase rad3, putative 0.0067 0.0092 0.0832
Leishmania major phosphatidylinositol 3-kinase, putative 0.0119 0.0405 0.1054
Trypanosoma brucei heat shock protein, putative 0.0147 0.057 1
Trypanosoma cruzi heat shock protein 85, putative 0.0147 0.057 0.1606
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Trypanosoma brucei heat shock protein 90, putative 0.0147 0.057 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0119 0.0405 0.6842
Plasmodium falciparum heat shock protein 90 0.0147 0.057 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0119 0.0405 0.6842
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0117 0.039 0.1009
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Schistosoma mansoni heat shock protein 0.0147 0.057 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0067 0.0092 0.0092
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0119 0.0405 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0092 0.1613
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.0405 0.7111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.1711 1 1
Trichomonas vaginalis heat shock protein, putative 0.0117 0.039 0.6844
Echinococcus granulosus heat shock protein 90 0.0117 0.039 0.039
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0067 0.0092 0.1613
Trypanosoma cruzi heat shock protein 90, putative 0.0117 0.039 0.1052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0117 0.039 0.5
Echinococcus multilocularis heat shock protein 0.0147 0.057 0.057
Trypanosoma brucei Heat shock protein 83, putative 0.0147 0.057 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0119 0.0405 0.6842
Trypanosoma cruzi heat shock protein 90, putative 0.0147 0.057 0.1606
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Giardia lamblia Heat shock protein HSP 90-alpha 0.0147 0.057 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0119 0.0405 0.6842
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0092 0.1613
Echinococcus granulosus heat shock protein 90 0.0147 0.057 0.057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.0405 0.7111
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Echinococcus multilocularis serine protein kinase ATM 0.0067 0.0092 0.0092
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0117 0.039 0.5
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0119 0.0405 0.6842
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0067 0.0092 0.0134
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0119 0.0405 0.1054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0092 0.1613
Trichomonas vaginalis heat shock protein, putative 0.006 0.0049 0.0853
Schistosoma mansoni endoplasmin 0.0147 0.057 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0119 0.0405 0.1099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0119 0.0405 0.1099
Toxoplasma gondii heat shock protein HSP90 0.0147 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Echinococcus granulosus endoplasmin 0.0117 0.039 0.039
Trypanosoma cruzi hypothetical protein, conserved 0.0598 0.3294 1
Trichomonas vaginalis endoplasmin, putative 0.009 0.0228 0.4009
Trypanosoma cruzi heat shock protein 85, putative 0.0147 0.057 0.1606
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0067 0.0092 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0092 0.1613
Loa Loa (eye worm) heat shock protein 90 0.0147 0.057 1
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0138 0.2426
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0075 0.0138 0.172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Brugia malayi Hsp90 protein 0.006 0.0049 0.0853
Mycobacterium ulcerans heat shock protein 90 0.0117 0.039 0.5
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.0092 0.1613
Entamoeba histolytica heat shock protein 90, putative 0.0147 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0092 0.1613
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0119 0.0405 0.1099
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Trypanosoma brucei heat shock protein, putative 0.0147 0.057 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0138 0.2426
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0092 0.1613
Treponema pallidum heat shock protein 90 0.0117 0.039 0.5
Brugia malayi heat shock protein 90 0.0147 0.057 1
Echinococcus granulosus serine protein kinase ATM 0.0067 0.0092 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Trichomonas vaginalis heat shock protein, putative 0.0147 0.057 1
Leishmania major heat shock protein 83-1 0.0147 0.057 0.1541
Toxoplasma gondii FATC domain-containing protein 0.0067 0.0092 0.0832
Trichomonas vaginalis heat shock protein, putative 0.0117 0.039 0.6844
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0405 0.7111

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 14 uM Inhibitory concentration of the compound against aldose reductase obtained from rat lens ChEMBL. 2491890
IC50 (binding) = 14 uM Inhibitory concentration of the compound against aldose reductase obtained from rat lens ChEMBL. 2491890

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.