Detailed information for compound 181399

Basic information

Technical information
  • TDR Targets ID: 181399
  • Name: 2'-fluoro-1,1-dioxospiro[1,2-thiazolidine-4,9 '-fluorene]-3-one
  • MW: 303.308 | Formula: C15H10FNO3S
  • H donors: 1 H acceptors: 3 LogP: 1.8 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)C1(CS(=O)(=O)NC1=O)c1c2cccc1
  • InChi: 1S/C15H10FNO3S/c16-9-5-6-11-10-3-1-2-4-12(10)15(13(11)7-9)8-21(19,20)17-14(15)18/h1-7H,8H2,(H,17,18)
  • InChiKey: MUEWFGRQTIPXOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2'-fluoro-1,1-dioxo-spiro[1,2-thiazolidine-4,9'-fluorene]-3-one
  • 2'-fluoro-1,1-dioxo-3-spiro[1,2-thiazolidine-4,9'-fluorene]one
  • 2'-fluoro-1,1-diketo-spiro[1,2-thiazolidine-4,9'-fluorene]-3-one

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
Trypanosoma brucei gambiense prostaglandin f synthase. putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis 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
Leishmania infantum aldo-keto reductase-like protein 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
Echinococcus granulosus aldo keto reductase family 1 member B4 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
Candida albicans see also nonallelic CaP19.2244 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 donovani prostaglandin f2-alpha synthase 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
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 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
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
Onchocerca volvulus 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 hypothetical 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
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus 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
Echinococcus multilocularis 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 cruzi aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Toxoplasma gondii aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
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
Giardia lamblia Aldose 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 donovani aldehyde reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
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
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
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
Leishmania major aldehyde reductase, putative,oxidoreductase, 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
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium ulcerans oxidoreductase 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
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 granulosus aldo keto reductase 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 aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, 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
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
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
Leishmania mexicana 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
Leishmania major prostaglandin f synthase, 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
Entamoeba histolytica aldose reductase, 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
Loa Loa (eye worm) oxidoreductase 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
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
Schistosoma mansoni 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 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
Leishmania mexicana 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 brucei 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 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
Echinococcus multilocularis aldo keto reductase family 1, member B4 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
Candida albicans similar to mammalian aldo/keto reductases 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
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Neospora caninum Oxidoreductase, aldo/keto reductase family, related Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni pol-related 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
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
Mycobacterium tuberculosis Probable 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
Leishmania mexicana 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
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative 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 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 330 aa 18.8 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   316 aa 277 aa 37.2 %
Toxoplasma gondii aldo/keto reductase family oxidoreductase Aldose reductase   316 aa 296 aa 26.7 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 330 aa 18.8 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 281 aa 29.2 %
Mycobacterium ulcerans hypothetical protein Aldose reductase   316 aa 334 aa 24.3 %
Onchocerca volvulus Aldose reductase   316 aa 314 aa 37.3 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   316 aa 277 aa 37.2 %
Candida albicans similar to putative aryl alcohol dehydrogenase family Aldose reductase   316 aa 320 aa 19.7 %
Trypanosoma cruzi aldo/keto reductase, putative Aldose reductase   316 aa 309 aa 26.9 %
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 320 aa 19.4 %
Neospora caninum aldo/keto reductase family oxidoreductase, putative Aldose reductase   316 aa 295 aa 21.4 %
Onchocerca volvulus Multiple coagulation factor deficiency protein 2 homolog Aldose reductase   316 aa 320 aa 40.3 %
Mycobacterium tuberculosis Conserved protein Aldose reductase   316 aa 335 aa 24.2 %
Onchocerca volvulus Aldose reductase   316 aa 321 aa 40.2 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 320 aa 19.4 %
Candida albicans putative aryl alcohol dehydrogenase Aldose reductase   316 aa 329 aa 19.8 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 281 aa 29.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0176 0.0801 0.0801
Brugia malayi hypothetical protein 0.0035 0.0002 0.0002
Echinococcus granulosus hypothetical protein 0.0038 0.0021 0.0261
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Echinococcus multilocularis ornithine aminotransferase 0.0176 0.0801 1
Schistosoma mansoni aldo-keto reductase 0.0038 0.0021 0.0261
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.124 0.6814 1
Loa Loa (eye worm) oxidoreductase 0.0038 0.0021 0.0021
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0021 0.0027
Onchocerca volvulus 0.0038 0.0021 0.0021
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0021 0.0261
Onchocerca volvulus 0.1804 1 1
Schistosoma mansoni aldo-keto reductase 0.0038 0.0021 0.0261
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0021 0.0261
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0002 0.003
Loa Loa (eye worm) hypothetical protein 0.0038 0.0021 0.0021
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0021 0.0261
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Mycobacterium ulcerans L-lysine aminotransferase 0.0176 0.0801 0.1173
Giardia lamblia Aldose reductase 0.0038 0.0021 0.5
Plasmodium falciparum ornithine aminotransferase 0.0176 0.0801 0.5
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0176 0.0801 1
Echinococcus granulosus aminopeptidase N 0.0035 0.0002 0.003
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0021 0.0261
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0002 0.003
Loa Loa (eye worm) aminopeptidase N 0.0035 0.0002 0.0002
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0176 0.0801 0.1149
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0021 0.0027
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0021 0.0261
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0021 0.0261
Onchocerca volvulus 0.0035 0.0002 0.0002
Echinococcus multilocularis ornithine aminotransferase 0.0176 0.0801 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0021 0.0021
Echinococcus granulosus Aminotransferase class III 0.0176 0.0801 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0021 0.0261
Onchocerca volvulus 0.0038 0.0021 0.0021
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0176 0.0801 0.1149
Plasmodium vivax ornithine aminotransferase, putative 0.0176 0.0801 0.5
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0176 0.0801 0.1149
Mycobacterium ulcerans hypothetical protein 0.124 0.6814 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0021 0.0027
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0021 0.0027
Loa Loa (eye worm) oxidoreductase 0.0038 0.0021 0.0021
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.124 0.6814 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0021 0.0261
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.124 0.6814 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0021 0.0261
Onchocerca volvulus 0.0038 0.0021 0.0021
Mycobacterium tuberculosis Probable aminotransferase 0.124 0.6814 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0002 0.003
Echinococcus multilocularis Aminotransferase class III 0.0176 0.0801 1
Entamoeba histolytica aldose reductase, putative 0.0038 0.0021 1
Trypanosoma brucei aldo-keto reductase, putative 0.0038 0.0021 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.0021 0.0261
Entamoeba histolytica aldose reductase, putative 0.0038 0.0021 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Echinococcus granulosus aldo keto reductase 0.0038 0.0021 0.0261
Trypanosoma cruzi aldo-keto reductase 0.0038 0.0021 1
Schistosoma mansoni pol-related 0.0038 0.0021 0.0261
Echinococcus multilocularis aldo keto reductase 0.0038 0.0021 0.0261
Loa Loa (eye worm) pax transcription factor protein 2 0.1804 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0021 0.0261
Leishmania major aldo-keto reductase-like protein 0.0038 0.0021 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0035 0.0002 0.003
Trypanosoma cruzi aldo/keto reductase, putative 0.0038 0.0021 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0176 0.0801 0.1149
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0038 0.0021 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0021 0.0261
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0176 0.0801 0.1149
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0021 0.0021
Echinococcus granulosus aldo keto reductase 0.0038 0.0021 0.0261
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0176 0.0801 0.1173
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0021 0.0261
Loa Loa (eye worm) oxidoreductase 0.0038 0.0021 0.0021
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0021 0.0261
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0176 0.0801 0.1173
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0002 0.003
Mycobacterium ulcerans oxidoreductase 0.0038 0.0021 0.0027
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0021 0.0261
Echinococcus granulosus ornithine aminotransferase 0.0176 0.0801 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0021 0.0021
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0176 0.0801 0.5
Giardia lamblia Aldose reductase 0.0038 0.0021 0.5
Onchocerca volvulus 0.0038 0.0021 0.0021
Onchocerca volvulus 0.0038 0.0021 0.0021
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0021 0.0027
Entamoeba histolytica aldose reductase, putative 0.0038 0.0021 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0002 0.003
Echinococcus granulosus aldo keto reductase 0.0038 0.0021 0.0261
Trypanosoma brucei prostaglandin f synthase 0.0038 0.0021 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0002 0.003
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0021 0.0261
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0176 0.0801 0.1149
Onchocerca volvulus 0.0035 0.0002 0.0002
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0021 0.0021
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0021 0.0261
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0176 0.0801 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.124 0.6814 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0021 0.0261
Mycobacterium ulcerans acetylornithine aminotransferase 0.0176 0.0801 0.1173
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0002 0.003
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0002 0.003
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0176 0.0801 0.1173
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0021 0.0027
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0035 0.0002 0.003
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0038 0.0021 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0021 0.0261
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0021 0.0027
Leishmania major prostaglandin f synthase, putative 0.0038 0.0021 1
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0176 0.0801 0.1149
Loa Loa (eye worm) oxidoreductase 0.0038 0.0021 0.0021
Echinococcus multilocularis aminopeptidase N 0.0035 0.0002 0.003
Brugia malayi Peptidase family M1 containing protein 0.0035 0.0002 0.0002
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0021 0.0261
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0176 0.0801 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0035 0.0002 0.003
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0002 0.003
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0176 0.0801 0.1173
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0021 0.0261
Loa Loa (eye worm) oxidoreductase 0.0038 0.0021 0.0021
Onchocerca volvulus 0.0038 0.0021 0.0021
Brugia malayi Peptidase family M1 containing protein 0.0035 0.0002 0.0002
Echinococcus multilocularis aldo keto reductase 0.0038 0.0021 0.0261
Echinococcus multilocularis aldo keto reductase 0.0038 0.0021 0.0261

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.1 uM In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK) ChEMBL. 1956041
IC50 (binding) = 2.1 uM In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK) ChEMBL. 1956041
IC50 (binding) > 10000 uM In vitro inhibition of Aldose reductase (AR) from rat lens (RL) ChEMBL. 1956041
IC50 (binding) > 10000 uM In vitro inhibition of Aldose reductase (AR) from rat lens (RL) ChEMBL. 1956041
Selectivity quotient (binding) > 5000 Selectivity as ratio of IC50 for rat lens and kidney aldose reductase ChEMBL. 1956041
Selectivity quotient (binding) > 5000 Selectivity as ratio of IC50 for rat lens and kidney aldose reductase ChEMBL. 1956041

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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