Detailed information for compound 43882

Basic information

Technical information
  • TDR Targets ID: 43882
  • Name: 2-cyano-2-(5-fluoro-2-oxo-1,3-dihydroindol-3- yl)acetic acid
  • MW: 234.183 | Formula: C11H7FN2O3
  • H donors: 2 H acceptors: 4 LogP: 0.39 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(C#N)C1C(=O)Nc2c1cc(F)cc2
  • InChi: 1S/C11H7FN2O3/c12-5-1-2-8-6(3-5)9(10(15)14-8)7(4-13)11(16)17/h1-3,7,9H,(H,14,15)(H,16,17)
  • InChiKey: OBJNJNCPBZUIBA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-cyano-2-(5-fluoro-2-oxo-indolin-3-yl)acetic acid
  • 2-cyano-2-(5-fluoro-2-oxo-3-indolinyl)acetic acid
  • 2-cyano-2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethanoic acid
  • 2-cyano-2-(5-fluoro-2-keto-indolin-3-yl)acetic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Aldehyde reductase Starlite/ChEMBL References
Rattus norvegicus Aldose reductase 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
Candida albicans see also nonallelic CaP19.2244 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldehyde 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
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
Onchocerca volvulus 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
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
Leishmania infantum 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
Trypanosoma brucei gambiense prostaglandin f synthase. 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
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
Trypanosoma brucei gambiense aldo-keto reductase, 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
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
Loa Loa (eye worm) oxidoreductase 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 mexicana 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
Trypanosoma congolense 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
Candida albicans see also nonallelic CaP19.2244 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldehyde reductase, putative,oxidoreductase, 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
Leishmania braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 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
Candida albicans similar to mammalian aldo/keto reductases 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 granulosus aldo keto reductase family 1 member B4 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
Entamoeba histolytica aldose 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
Loa Loa (eye worm) hypothetical 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 granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
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
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
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
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
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
Candida albicans similar to mammalian aldo/keto reductases 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
Leishmania infantum 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
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
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
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
Schistosoma japonicum IPR001395,Aldo/keto reductase,domain-containing 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 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
Entamoeba histolytica aldose 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
Mycobacterium ulcerans oxidoreductase 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
Trichomonas vaginalis aldo-keto reductase, 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
Leishmania mexicana 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
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 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 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
Leishmania major aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi 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 mansoni pol-related Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis 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
Schistosoma mansoni 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
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f synthase, putative 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
Loa Loa (eye worm) oxidoreductase 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
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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii aldo/keto reductase family oxidoreductase Aldehyde reductase   325 aa 300 aa 24.3 %
Candida albicans aryl alcohol dehydrogenase Aldehyde reductase   325 aa 334 aa 19.8 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 281 aa 29.2 %
Onchocerca volvulus Aldehyde reductase   325 aa 332 aa 42.5 %
Leishmania braziliensis aldo/keto reductase, putative,aldo/keto reductase family-like protein Aldose reductase   316 aa 267 aa 27.3 %
Onchocerca volvulus Aldose reductase   316 aa 314 aa 37.3 %
Onchocerca volvulus Multiple coagulation factor deficiency protein 2 homolog Aldehyde reductase   325 aa 332 aa 44.6 %
Candida albicans putative aryl alcohol dehydrogenase Aldehyde reductase   325 aa 331 aa 19.9 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldehyde reductase   325 aa 294 aa 34.0 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 320 aa 19.4 %
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein Aldehyde reductase   325 aa 272 aa 26.5 %
Mycobacterium tuberculosis Conserved protein Aldose reductase   316 aa 335 aa 24.2 %
Candida albicans putative aryl alcohol dehydrogenase Aldehyde reductase   325 aa 345 aa 20.3 %
Leishmania mexicana aldo/keto reductase, putative,aldo/keto reductase family-like protein Aldehyde reductase   325 aa 284 aa 25.4 %
Candida albicans aryl alcohol dehydrogenase Aldehyde reductase   325 aa 334 aa 19.8 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 320 aa 19.4 %
Neospora caninum aldo/keto reductase family oxidoreductase, putative Aldehyde reductase   325 aa 296 aa 20.3 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 281 aa 29.2 %
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 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldehyde reductase   325 aa 294 aa 34.0 %
Mycobacterium ulcerans hypothetical protein Aldose reductase   316 aa 334 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Thymidine kinase 0.0524 0.0521 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.9479 1 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0712 0.072 0.0704
Schistosoma mansoni hypothetical protein 0.0367 0.0355 0.0346
Echinococcus granulosus hypothetical protein 0.0077 0.0048 0.0025
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0392 0.0382 0.0373
Mycobacterium tuberculosis Probable thymidylate synthase ThyX (ts) (TSase) 0.4917 0.5171 0.536
Trypanosoma cruzi deoxyuridine triphosphatase, putative 0.0397 0.0387 0.0341
Treponema pallidum thymidylate kinase (tmk) 0.0392 0.0382 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.0048 0.0037
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0048 0.0025
Trypanosoma brucei thymidine kinase 0.0524 0.0521 0.0521
Toxoplasma gondii thymidylate kinase 0.0392 0.0382 0.037
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.9479 1 1
Trypanosoma cruzi thymidylate kinase, putative 0.0392 0.0382 0.0336
Trypanosoma brucei prostaglandin f synthase 0.0077 0.0048 0.0048
Trypanosoma brucei thymidylate kinase, putative 0.0392 0.0382 0.0382
Plasmodium vivax thymidylate kinase, putative 0.0392 0.0382 0.037
Trypanosoma brucei deoxyuridine triphosphatase, putative 0.0397 0.0387 0.0387
Loa Loa (eye worm) thymidylate synthase 0.9106 0.9605 1
Echinococcus granulosus thymidylate kinase 0.0392 0.0382 0.0374
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0048 0.0025
Brugia malayi hypothetical protein 0.4332 0.4552 0.4732
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.0048 0.0037
Brugia malayi Dihydrofolate reductase 0.0712 0.072 0.0738
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0048 0.0025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0048 0.0025
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYX (TS) (TSase) 0.4917 0.5171 0.5372
Trypanosoma brucei thymidylate kinase, putative 0.0392 0.0382 0.0382
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0154 0.013 0.0082
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.9106 0.9605 1
Onchocerca volvulus 0.0077 0.0048 0.0003
Echinococcus multilocularis aldo keto reductase 0.0077 0.0048 0.0025
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0048 0.0025
Mycobacterium tuberculosis Hypothetical protein 0.4332 0.4552 0.4713
Onchocerca volvulus 0.0077 0.0048 0.0003
Onchocerca volvulus 0.0077 0.0048 0.0003
Loa Loa (eye worm) dihydrofolate reductase 0.0712 0.072 0.0707
Loa Loa (eye worm) oxidoreductase 0.0077 0.0048 0.0003
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.0048 0.0037
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0048 0.0025
Leishmania major deoxyuridine triphosphatase, putative,dUTP diphosphatase 0.0397 0.0387 0.0341
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0048 0.0025
Trichomonas vaginalis thymidylate kinase, putative 0.0392 0.0382 0.0742
Mycobacterium ulcerans FAD-dependent thymidylate synthase 0.4917 0.5171 0.536
Entamoeba histolytica Thymidylate kinase, putative 0.0392 0.0382 0.7056
Toxoplasma gondii aldose reductase, putative 0.0077 0.0048 0.0035
Echinococcus granulosus aldehyde reductase 0.0054 0.0024 0.0001
Schistosoma mansoni thymidylate kinase 0.0392 0.0382 0.0374
Mycobacterium ulcerans thymidylate kinase 0.0392 0.0382 0.035
Loa Loa (eye worm) oxidoreductase 0.0077 0.0048 0.0003
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.4332 0.4552 0.4526
Mycobacterium ulcerans thymidylate synthase 0.9106 0.9605 1
Chlamydia trachomatis dihydrofolate reductase 0.0712 0.072 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.9479 1 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0712 0.072 0.0727
Trichomonas vaginalis thymidine kinase, putative 0.0524 0.0521 0.1052
Loa Loa (eye worm) thymidylate kinase 0.0392 0.0382 0.0353
Giardia lamblia Aldose reductase 0.0077 0.0048 0.0651
Trypanosoma cruzi thymidylate kinase, putative 0.0392 0.0382 0.0336
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0048 0.0025
Onchocerca volvulus 0.9106 0.9605 1
Echinococcus multilocularis aldo keto reductase 0.0077 0.0048 0.0025
Leishmania major thymidylate kinase-like protein 0.0392 0.0382 0.0336
Onchocerca volvulus Putative thymidylate kinase 0.0392 0.0382 0.0353
Brugia malayi dihydrofolate reductase family protein 0.0712 0.072 0.0738
Leishmania major thymidine kinase, putative 0.0524 0.0521 0.0476
Echinococcus multilocularis thymidylate kinase 0.0392 0.0382 0.0374
Echinococcus granulosus thymidylate synthase 0.9106 0.9605 1
Giardia lamblia Aldose reductase 0.0077 0.0048 0.0651
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.9479 1 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0048 0.0003
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.0048 0.0037
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0048 0.0025
Schistosoma mansoni hypothetical protein 0.0392 0.0382 0.0374
Schistosoma mansoni aldo-keto reductase 0.0077 0.0048 0.0025
Trichomonas vaginalis thymidine kinase, putative 0.0524 0.0521 0.1052
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0048 0.0025
Loa Loa (eye worm) oxidoreductase 0.0077 0.0048 0.0003
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0048 0.0025
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0048 0.0025
Onchocerca volvulus 0.0077 0.0048 0.0003
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0048 0.0025
Entamoeba histolytica thymidine kinase, putative 0.0524 0.0521 1
Echinococcus multilocularis thymidylate synthase 0.9106 0.9605 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.9479 1 1
Schistosoma mansoni dihydrofolate reductase 0.0712 0.072 0.0727
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0048 0.0025
Onchocerca volvulus 0.0077 0.0048 0.0003
Echinococcus granulosus dihydrofolate reductase 0.0712 0.072 0.0727
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.9106 0.9605 1
Trypanosoma brucei aldo-keto reductase, putative 0.0077 0.0048 0.0048
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0077 0.0048 0.0024
Echinococcus multilocularis dihydrofolate reductase 0.0712 0.072 0.0727
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0048 0.0025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0048 0.0025
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0392 0.0382 0.5
Loa Loa (eye worm) oxidoreductase 0.0077 0.0048 0.0003
Echinococcus multilocularis aldo keto reductase 0.0077 0.0048 0.0025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0048 0.0025
Trypanosoma cruzi thymidine kinase, putative 0.0524 0.0521 0.0476
Trypanosoma cruzi thymidine kinase, putative 0.0524 0.0521 0.0476
Echinococcus granulosus aldo keto reductase 0.0077 0.0048 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.4332 0.4552 1
Echinococcus granulosus aldo keto reductase 0.0077 0.0048 0.0025
Brugia malayi thymidylate kinase 0.0392 0.0382 0.0385
Echinococcus multilocularis aldehyde reductase 0.0054 0.0024 0.0001
Leishmania major hypothetical protein, conserved 0.0154 0.013 0.0082
Giardia lamblia CDC8 0.0392 0.0382 0.7247
Brugia malayi thymidylate synthase 0.9106 0.9605 1
Trichomonas vaginalis thymidine kinase, putative 0.0524 0.0521 0.1052
Schistosoma mansoni pol-related 0.0077 0.0048 0.0025
Trypanosoma cruzi deoxyuridine triphosphatase, putative 0.0397 0.0387 0.0341
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0154 0.013 0.0082
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0712 0.072 0.0704
Trichomonas vaginalis thymidylate kinase, putative 0.0392 0.0382 0.0742
Echinococcus granulosus aldo keto reductase 0.0077 0.0048 0.0025
Schistosoma mansoni aldo-keto reductase 0.0077 0.0048 0.0025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0048 0.0025
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.9106 0.9605 1
Trypanosoma brucei RNA helicase, putative 0.0367 0.0355 0.0355
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0048 0.0025
Onchocerca volvulus 0.0077 0.0048 0.0003
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0048 0.0025
Echinococcus multilocularis aldo keto reductase 0.0077 0.0048 0.0025
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0392 0.0382 0.035
Loa Loa (eye worm) oxidoreductase 0.0077 0.0048 0.0003
Schistosoma mansoni thymidylate kinase 0.0392 0.0382 0.0374

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) uM In vitro inhibitory activity against sorbitol dehydrogenase (SD) from sheep liver; Not active ChEMBL. 12672241
IC50 (binding) uM In vitro inhibitory activity against glutathione reductase (GR) from bakers yeast; Not active ChEMBL. 12672241
IC50 (binding) 0 uM In vitro inhibitory activity against sorbitol dehydrogenase (SD) from sheep liver; Not active ChEMBL. 12672241
IC50 (binding) 0 uM In vitro inhibitory activity against glutathione reductase (GR) from bakers yeast; Not active ChEMBL. 12672241
IC50 (binding) = 0.28 uM In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. ChEMBL. 12672241
IC50 (binding) = 0.28 uM In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. ChEMBL. 12672241
IC50 (binding) = 6.79 uM In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney. ChEMBL. 12672241
IC50 (binding) = 6.79 uM In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney. ChEMBL. 12672241

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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