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  

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
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
Leishmania braziliensis prostaglandin f synthase, 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 aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis 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
Trichomonas vaginalis dihydrodiol dehydrogenase, 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
Brugia malayi oxidoreductase, aldo/keto reductase family 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
Leishmania mexicana prostaglandin f2-alpha synthase 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 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
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
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
Onchocerca volvulus 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 aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus hypothetical protein 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
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
Leishmania infantum aldo-keto reductase-like protein 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 aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose 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
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
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
Giardia lamblia Aldose reductase 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
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 granulosus aldo keto reductase family 1 member B4 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 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
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
Leishmania infantum 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium ulcerans oxidoreductase 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
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
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
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
Leishmania major aldo-keto reductase-like 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
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
Trypanosoma brucei gambiense aldo-keto reductase, putative 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
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 donovani prostaglandin f2-alpha synthase 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
Trypanosoma brucei gambiense 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
Echinococcus granulosus aldo keto reductase 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
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
Schistosoma japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase 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
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 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
Mycobacterium leprae Conserved hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 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
Mycobacterium leprae PROBABLE OXIDOREDUCTASE Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani 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
Brugia malayi oxidoreductase, aldo/keto reductase family 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
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense 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
Candida albicans similar to mammalian aldo/keto reductases 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
Trypanosoma cruzi aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei prostaglandin f synthase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana 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 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
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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Multiple coagulation factor deficiency protein 2 homolog Aldose reductase   316 aa 320 aa 41.6 %
Toxoplasma gondii aldo/keto reductase family oxidoreductase Aldose reductase   316 aa 293 aa 26.6 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 324 aa 18.5 %
Trypanosoma cruzi aldo/keto reductase, putative Aldose reductase   316 aa 306 aa 28.8 %
Mycobacterium ulcerans hypothetical protein Aldose reductase   316 aa 321 aa 25.5 %
Onchocerca volvulus Aldose reductase   316 aa 313 aa 37.7 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   316 aa 278 aa 34.9 %
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 %
Candida albicans similar to putative aryl alcohol dehydrogenase family Aldose reductase   316 aa 313 aa 20.1 %
Mycobacterium tuberculosis Conserved protein Aldose reductase   316 aa 322 aa 26.1 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 335 aa 19.7 %
Candida albicans putative aryl alcohol dehydrogenase Aldose reductase   316 aa 321 aa 20.2 %
Onchocerca volvulus Aldose reductase   316 aa 321 aa 40.5 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 279 aa 30.1 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 324 aa 18.5 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 335 aa 19.7 %
Neospora caninum aldo/keto reductase family oxidoreductase, putative Aldose reductase   316 aa 288 aa 23.3 %

Obtained from network model

Ranking Plot


Putative Targets List


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

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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