Detailed information for compound 227787

Basic information

Technical information
  • TDR Targets ID: 227787
  • Name: 7'-acetyl-2'-[(4-bromo-2-fluorophenyl)methyl] spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine ]-1',2,3',5-tetrone
  • MW: 462.226 | Formula: C19H13BrFN3O5
  • H donors: 1 H acceptors: 5 LogP: 0.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)C2(C1)C(=O)N(Cc1ccc(cc1F)Br)C(=O)c1n2cc(c1)C(=O)C
  • InChi: 1S/C19H13BrFN3O5/c1-9(25)11-4-14-16(27)23(7-10-2-3-12(20)5-13(10)21)18(29)19(24(14)8-11)6-15(26)22-17(19)28/h2-5,8H,6-7H2,1H3,(H,22,26,28)
  • InChiKey: BALNXAFGIVAPKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7'-acetyl-2'-[(4-bromo-2-fluoro-phenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
  • 2'-[(4-bromo-2-fluoro-phenyl)methyl]-7'-ethanoyl-spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
  • 7'-acetyl-2'-(4-bromo-2-fluoro-benzyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-diquinone
  • 7'-acetyl-2'-[(4-bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-d]pyrazine]-1',2,3',5-tetrone
  • 7'-acetyl-2'-[(4-bromo-2-fluoro-phenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-d]pyrazine]-1',2,3',5-tetrone
  • 7'-acetyl-2'-(4-bromo-2-fluoro-benzyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-d]pyrazine]-1',2,3',5-diquinone
  • 2'-[(4-bromo-2-fluoro-phenyl)methyl]-7'-ethanoyl-spiro[pyrrolidine-3,4'-pyrrolo[1,2-d]pyrazine]-1',2,3',5-tetrone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa 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 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
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
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 mexicana aldehyde reductase, putative,oxidoreductase, 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
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 hypothetical 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 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 braziliensis aldehyde reductase, putative,oxidoreductase, 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 braziliensis aldo-keto reductase-like protein 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
Loa Loa (eye worm) oxidoreductase 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
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
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
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus 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
Candida albicans see also nonallelic CaP19.2244 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) 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
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
Leishmania major 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
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
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
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 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
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
Leishmania major aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus 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 infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 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
Trypanosoma brucei 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
Echinococcus multilocularis 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
Candida albicans similar to mammalian aldo/keto reductases 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
Echinococcus granulosus 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
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 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 mexicana 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
Candida albicans Aldose reductase 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
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
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
Schistosoma mansoni 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
Entamoeba histolytica aldose 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 aldo-keto reductase-like protein 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
Schistosoma mansoni pol-related 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
Onchocerca volvulus 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 mexicana 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
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
Schistosoma japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], putative 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 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 multilocularis aldehyde reductase 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
Echinococcus granulosus aldehyde reductase 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 family 1, member B4 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
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 brucei gambiense 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
Trypanosoma congolense 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
Leishmania major aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
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
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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi aldo/keto reductase, putative Aldose reductase   316 aa 306 aa 28.8 %
Candida albicans similar to putative aryl alcohol dehydrogenase family Aldose reductase   316 aa 313 aa 20.1 %
Candida albicans putative aryl alcohol dehydrogenase Aldose reductase   316 aa 321 aa 20.2 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 335 aa 19.7 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 324 aa 18.5 %
Onchocerca volvulus Multiple coagulation factor deficiency protein 2 homolog Aldose reductase   316 aa 320 aa 41.6 %
Onchocerca volvulus Aldose reductase   316 aa 313 aa 37.7 %
Toxoplasma gondii aldo/keto reductase family oxidoreductase Aldose reductase   316 aa 293 aa 26.6 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   316 aa 278 aa 34.9 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 324 aa 18.5 %
Mycobacterium ulcerans hypothetical protein Aldose reductase   316 aa 321 aa 25.5 %
Neospora caninum aldo/keto reductase family oxidoreductase, putative Aldose reductase   316 aa 288 aa 23.3 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 279 aa 30.1 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 335 aa 19.7 %
Onchocerca volvulus Aldose reductase   316 aa 321 aa 40.5 %
Mycobacterium tuberculosis Conserved protein Aldose reductase   316 aa 322 aa 26.1 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 279 aa 30.1 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   316 aa 278 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH2 domain containing protein 0.0134 0.4433 0.4401
Echinococcus granulosus hypothetical protein 0.0038 0.0461 0.0477
Echinococcus multilocularis geminin 0.0166 0.5769 0.5975
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0461 0.0406
Echinococcus multilocularis tar DNA binding protein 0.0133 0.4401 0.4558
Leishmania major trypanothione reductase 0.0259 0.9655 1
Onchocerca volvulus 0.0049 0.0891 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0461 0.0406
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.009 0.2607 0.2334
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0461 0.0477
Echinococcus multilocularis aldo keto reductase 0.0038 0.0461 0.0477
Plasmodium vivax thioredoxin reductase, putative 0.0259 0.9655 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0038 0.0461 0.1768
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.009 0.2607 0.27
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.009 0.2607 0.225
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0307 0.0251
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.009 0.2607 0.2657
Echinococcus granulosus thioredoxin glutathione reductase 0.0259 0.9655 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.009 0.2607 0.2657
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0461 0.0477
Plasmodium vivax apical sushi protein, putative 0.0049 0.0891 0.0869
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1001 0.1037
Loa Loa (eye worm) hypothetical protein 0.0054 0.1117 0.1067
Onchocerca volvulus 0.0049 0.0891 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.0461 0.0477
Schistosoma mansoni pol-related 0.0038 0.0461 0.0406
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0461 0.0477
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0461 0.0477
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0461 0.0477
Brugia malayi TAR-binding protein 0.0133 0.4401 0.4369
Onchocerca volvulus 0.0049 0.0891 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0033 0.0248 0.0257
Schistosoma mansoni glutaminase 0.0268 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0133 0.4401 0.4369
Echinococcus multilocularis thioredoxin glutathione reductase 0.0259 0.9655 1
Brugia malayi RNA recognition motif domain containing protein 0.0133 0.4401 0.4369
Onchocerca volvulus 0.0038 0.0461 0.4845
Brugia malayi hypothetical protein 0.0049 0.0891 0.0839
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.2758 0.2856
Brugia malayi Thioredoxin reductase 0.0259 0.9655 0.9653
Brugia malayi jmjC domain containing protein 0.0035 0.0307 0.0251
Leishmania major dihydrolipoamide dehydrogenase, putative 0.009 0.2607 0.2334
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.009 0.2607 0.2657
Leishmania major dihydrolipoamide dehydrogenase, putative 0.009 0.2607 0.2334
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.009 0.2607 0.5
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.009 0.2607 0.2657
Brugia malayi hypothetical protein 0.0049 0.0891 0.0839
Echinococcus granulosus C type lectin domian containing protein 0.0049 0.0891 0.0922
Onchocerca volvulus 0.0049 0.0891 1
Schistosoma mansoni aldo-keto reductase 0.0038 0.0461 0.0406
Brugia malayi hypothetical protein 0.0049 0.0891 0.0839
Schistosoma mansoni tar DNA-binding protein 0.0133 0.4401 0.4369
Brugia malayi jmjC domain containing protein 0.0093 0.2758 0.2716
Loa Loa (eye worm) hypothetical protein 0.0038 0.0461 0.0406
Plasmodium falciparum thioredoxin reductase 0.0259 0.9655 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0461 0.0477
Onchocerca volvulus 0.0038 0.0461 0.4845
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0461 0.0477
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0461 0.0477
Onchocerca volvulus 0.0049 0.0891 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.1001 0.095
Mycobacterium ulcerans flavoprotein disulfide reductase 0.009 0.2607 0.225
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.009 0.2607 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0461 0.0477
Schistosoma mansoni c4b-binding protein beta chain 0.0049 0.0891 0.0839
Loa Loa (eye worm) glutaminase 0.0268 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0461 0.0477
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.009 0.2607 0.2334
Onchocerca volvulus 0.0038 0.0461 0.4845
Giardia lamblia Aldose reductase 0.0038 0.0461 0.1584
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.009 0.2607 0.2334
Schistosoma mansoni jumonji domain containing protein 0.0074 0.1959 0.1913
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.4433 0.4401
Entamoeba histolytica aldose reductase, putative 0.0038 0.0461 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1001 0.1037
Echinococcus granulosus aldo keto reductase 0.0038 0.0461 0.0477
Loa Loa (eye worm) hypothetical protein 0.0049 0.0891 0.0839
Brugia malayi RNA binding protein 0.0133 0.4401 0.4369
Loa Loa (eye worm) oxidoreductase 0.0038 0.0461 0.0406
Onchocerca volvulus 0.0049 0.0891 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0461 0.0477
Loa Loa (eye worm) hypothetical protein 0.0049 0.0891 0.0839
Echinococcus multilocularis aldo keto reductase 0.0038 0.0461 0.0477
Loa Loa (eye worm) oxidoreductase 0.0038 0.0461 0.0406
Brugia malayi GCC2 and GCC3 family protein 0.0049 0.0891 0.0839
Plasmodium falciparum apical sushi protein 0.0049 0.0891 0.0869
Brugia malayi hypothetical protein 0.0049 0.0891 0.0839
Toxoplasma gondii NADPH-glutathione reductase 0.009 0.2607 0.2657
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.009 0.2607 0.2334
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0057 0.0059
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.009 0.2607 0.2334
Onchocerca volvulus 0.0038 0.0461 0.4845
Brugia malayi Sushi domain 0.0049 0.0891 0.0839
Schistosoma mansoni tar DNA-binding protein 0.0133 0.4401 0.4369
Echinococcus granulosus aldo keto reductase 0.0038 0.0461 0.0477
Schistosoma mansoni tar DNA-binding protein 0.0133 0.4401 0.4369
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0049 0.0891 0.0839
Toxoplasma gondii rhoptry neck protein RON9 0.0049 0.0891 0.0869
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0259 0.9655 1
Loa Loa (eye worm) oxidoreductase 0.0038 0.0461 0.0406
Echinococcus granulosus c4b binding protein beta chain 0.0049 0.0891 0.0922
Loa Loa (eye worm) hypothetical protein 0.0049 0.0891 0.0839
Loa Loa (eye worm) hypothetical protein 0.0049 0.0891 0.0839
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.009 0.2607 0.2657
Giardia lamblia Aldose reductase 0.0038 0.0461 0.1584
Loa Loa (eye worm) hypothetical protein 0.0049 0.0891 0.0839
Brugia malayi pregnancy-associated plasma protein-A 0.0049 0.0891 0.0839
Loa Loa (eye worm) hypothetical protein 0.0049 0.0891 0.0839
Trichomonas vaginalis glutaminase, putative 0.0268 1 1
Onchocerca volvulus 0.0049 0.0891 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0307 0.0318
Loa Loa (eye worm) RNA binding protein 0.0133 0.4401 0.4369
Plasmodium vivax glutathione reductase, putative 0.0259 0.9655 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.009 0.2607 0.2565
Schistosoma mansoni hypothetical protein 0.0166 0.5769 0.5745
Brugia malayi glutathione reductase 0.0259 0.9655 0.9653
Brugia malayi hypothetical protein 0.0033 0.0248 0.0192
Plasmodium falciparum glutathione reductase 0.009 0.2607 0.2657
Loa Loa (eye worm) glutaminase 2 0.0268 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0461 0.0477
Schistosoma mansoni hypothetical protein 0.0033 0.0248 0.0192
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0066 0.1615 0.1567
Plasmodium falciparum thioredoxin reductase 0.009 0.2607 0.2657
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0461 0.0477
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0461 0.0477
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0522 0.054
Schistosoma mansoni transcription factor LCR-F1 0.0033 0.0248 0.0192
Trichomonas vaginalis glutathione reductase, putative 0.009 0.2607 0.225
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.009 0.2607 0.2334
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0461 0.0477
Brugia malayi hypothetical protein 0.0049 0.0891 0.0839
Plasmodium falciparum glutathione reductase 0.0259 0.9655 1
Echinococcus granulosus aldo keto reductase 0.0038 0.0461 0.0477
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.1001 0.095
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0461 0.0477
Echinococcus multilocularis peregrin 0.0029 0.0057 0.0059
Trypanosoma brucei trypanothione reductase 0.0259 0.9655 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.009 0.2607 0.2334
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1321 0.1271
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0461 0.0477
Schistosoma mansoni hypothetical protein 0.0166 0.5769 0.5745
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.4433 0.4401
Onchocerca volvulus 0.0038 0.0461 0.4845
Trichomonas vaginalis mercuric reductase, putative 0.009 0.2607 0.225
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0033 0.0248 0.0257
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0057 0.0059
Onchocerca volvulus 0.0049 0.0891 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.009 0.2607 0.225
Echinococcus multilocularis C type lectin domian containing protein 0.0049 0.0891 0.0922
Echinococcus granulosus geminin 0.0166 0.5769 0.5975
Loa Loa (eye worm) hypothetical protein 0.0049 0.0891 0.0839
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.009 0.2607 0.2334
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0461 0.0406
Toxoplasma gondii thioredoxin reductase 0.0259 0.9655 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0307 0.0251
Toxoplasma gondii rhoptry neck protein RON1 0.0049 0.0891 0.0869
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.009 0.2607 0.2334
Echinococcus granulosus peregrin 0.0029 0.0057 0.0059
Loa Loa (eye worm) TAR-binding protein 0.0133 0.4401 0.4369
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.009 0.2607 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.009 0.2607 0.2334
Loa Loa (eye worm) glutathione reductase 0.0259 0.9655 0.9653
Entamoeba histolytica aldose reductase, putative 0.0038 0.0461 1
Treponema pallidum NADH oxidase 0.009 0.2607 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.009 0.2607 0.2334
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1001 0.1037
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.009 0.2607 0.2334
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.009 0.2607 0.2334
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.2758 0.2856
Trypanosoma cruzi trypanothione reductase, putative 0.009 0.2607 0.2334
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1001 0.095
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0066 0.1615 0.1567
Loa Loa (eye worm) thioredoxin reductase 0.0259 0.9655 0.9653
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.009 0.2607 0.27
Mycobacterium ulcerans glutaminase 0.0268 1 1
Brugia malayi hypothetical protein 0.0049 0.0891 0.0839
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0461 0.0477
Onchocerca volvulus 0.0038 0.0461 0.4845
Schistosoma mansoni tar DNA-binding protein 0.0133 0.4401 0.4369
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1001 0.095
Trypanosoma cruzi trypanothione reductase, putative 0.0259 0.9655 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.009 0.2607 1
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0307 0.0318
Entamoeba histolytica aldose reductase, putative 0.0038 0.0461 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0461 0.0406
Schistosoma mansoni aldo-keto reductase 0.0038 0.0461 0.0406
Echinococcus multilocularis c4b binding protein beta chain 0.0049 0.0891 0.0922
Onchocerca volvulus 0.0049 0.0891 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0461 0.0477
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.009 0.2607 0.2334
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1001 0.095
Echinococcus multilocularis aldo keto reductase 0.0038 0.0461 0.0477
Brugia malayi hypothetical protein 0.0049 0.0891 0.0839
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0461 0.0477
Loa Loa (eye worm) hypothetical protein 0.0049 0.0891 0.0839
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.009 0.2607 0.2334
Loa Loa (eye worm) oxidoreductase 0.0038 0.0461 0.0406
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.009 0.2607 0.2334
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.009 0.2607 0.2334
Echinococcus granulosus jumonji domain containing protein 0.004 0.0522 0.054
Schistosoma mansoni tar DNA-binding protein 0.0133 0.4401 0.4369
Onchocerca volvulus 0.0049 0.0891 1
Echinococcus granulosus tar DNA binding protein 0.0133 0.4401 0.4558
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1001 0.1037
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.009 0.2607 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0905 0.0853
Toxoplasma gondii aldose reductase, putative 0.0038 0.0461 0.0421
Leishmania major acetoin dehydrogenase e3 component-like protein 0.009 0.2607 0.2334
Loa Loa (eye worm) oxidoreductase 0.0038 0.0461 0.0406
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0307 0.0251
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.009 0.2607 0.2565

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.21 uM In vitro inhibitory activity against aldose reductase in porcine lens. ChEMBL. 9767647
IC50 (binding) = 0.21 uM In vitro inhibitory activity against aldose reductase in porcine lens. ChEMBL. 9767647
Inhibition (functional) = 26.6 % Compound tested in vivo for inhibition of sorbital accumulation in the sciatic nerve of streptozotocin- induced diabetic rat; % Inhibition at 1 mg/Kg ChEMBL. 9767647

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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