Detailed information for compound 228355

Basic information

Technical information
  • TDR Targets ID: 228355
  • Name: (3R)-2'-[(4-bromo-2-fluorophenyl)methyl]spiro [pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1', 2,3',5-tetrone
  • MW: 420.189 | Formula: C17H11BrFN3O4
  • H donors: 1 H acceptors: 4 LogP: 1.29 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)[C@]2(C1)C(=O)N(Cc1ccc(cc1F)Br)C(=O)c1n2ccc1
  • InChi: 1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m1/s1
  • InChiKey: QCVNMNYRNIMDKV-QGZVFWFLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3R)-2'-[(4-bromo-2-fluoro-phenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
  • (3R)-2'-(4-bromo-2-fluoro-benzyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-diquinone
  • SX 3030
  • (3R)-2'-[(4-bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-d]pyrazine]-1',2,3',5-tetrone
  • (3R)-2'-[(4-bromo-2-fluoro-phenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-d]pyrazine]-1',2,3',5-tetrone
  • (3R)-2'-(4-bromo-2-fluoro-benzyl)spiro[pyrrolidine-3,4'-pyrrolo[1,2-d]pyrazine]-1',2,3',5-diquinone
  • 147254-64-6
  • (R)-(-)-2-(4-Bromo-2-fluorobenzyl)-1,2,3,4-tetrahydropyrrolo(1,2-a)pyrazine-4-spiro-3'-pyrrolidine-1,2',3,5'-tetrone
  • SX-3201
  • SX-3202
  • SX 3201
  • Spiro(pyrrolidine-3,4'(1'H)-pyrrolo(1,2-a)pyrazine)-1',2,3',5(2'H)-tetrone, 2'-((4-bromo-2-fluorophenyl)methyl)-, (-)-
  • Spiro(pyrrolidine-3,4'(1'H)-pyrrolo(1,2-a)pyrazine)-1',2,3',5(2'H)-tetrone, 2'-((4-bromo-2-fluorophenyl)methyl)-, (3'R)-
  • Ranirestat
  • AS-3201
  • D06403
  • Ranirestat (JAN)
  • SX-3030

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldo-keto reductase family 1, member B1 (aldose reductase) Starlite/ChEMBL References
Sus scrofa Aldose reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana aldo-keto reductase-like protein 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
Leishmania mexicana 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
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
Candida albicans see also nonallelic CaP19.2244 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 brucei gambiense 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
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
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases 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
Mycobacterium leprae PROBABLE OXIDOREDUCTASE Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium tuberculosis Probable 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
Brugia malayi oxidoreductase, aldo/keto reductase family 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
Onchocerca volvulus 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
Loa Loa (eye worm) hypothetical 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
Trypanosoma brucei 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
Mycobacterium ulcerans 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
Neospora caninum Oxidoreductase, aldo/keto reductase family, related Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldo-keto reductase-like protein 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
Leishmania braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 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
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 prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus 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
Toxoplasma gondii aldose 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 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 prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase 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
Trichomonas vaginalis aldo-keto reductase, 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 granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
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
Trypanosoma brucei prostaglandin f synthase 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
Schistosoma japonicum IPR001395,Aldo/keto reductase,domain-containing 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
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
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
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
Entamoeba histolytica aldose reductase, putative 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
Brugia malayi oxidoreductase, aldo/keto reductase family 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 dihydrodiol dehydrogenase, 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 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
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
Leishmania braziliensis 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
Candida albicans Aldose 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 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
Trichomonas vaginalis 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
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 aldehyde reductase, putative,oxidoreductase, 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 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
Leishmania donovani aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
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 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
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 279 aa 30.1 %
Mycobacterium tuberculosis Conserved protein aldo-keto reductase family 1, member B1 (aldose reductase) 316 aa 325 aa 24.6 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 324 aa 18.5 %
Onchocerca volvulus Aldose reductase   316 aa 313 aa 37.7 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 324 aa 18.5 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   316 aa 278 aa 34.9 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   316 aa 278 aa 34.9 %
Candida albicans putative aryl alcohol dehydrogenase Aldose reductase   316 aa 321 aa 20.2 %
Onchocerca volvulus Aldose reductase   316 aa 321 aa 40.5 %
Neospora caninum aldo/keto reductase family oxidoreductase, putative Aldose reductase   316 aa 288 aa 23.3 %
Mycobacterium ulcerans hypothetical protein Aldose reductase   316 aa 321 aa 25.5 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 279 aa 30.1 %
Trypanosoma cruzi aldo/keto reductase, putative Aldose reductase   316 aa 306 aa 28.8 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 335 aa 19.7 %
Onchocerca volvulus Multiple coagulation factor deficiency protein 2 homolog Aldose reductase   316 aa 320 aa 41.6 %
Mycobacterium tuberculosis Conserved protein Aldose reductase   316 aa 322 aa 26.1 %
Candida albicans similar to putative aryl alcohol dehydrogenase family Aldose reductase   316 aa 313 aa 20.1 %
Toxoplasma gondii aldo/keto reductase family oxidoreductase Aldose reductase   316 aa 293 aa 26.6 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 335 aa 19.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni AMP deaminase 0.4001 0.7758 0.7758
Echinococcus granulosus hypothetical protein 0.0077 0.0069 0.0069
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0112 0.0138 0.0138
Giardia lamblia Aldose reductase 0.0077 0.0069 0.5
Schistosoma mansoni integrin alpha-4 0.0428 0.0757 0.0757
Echinococcus multilocularis integrin alpha ps 0.0048 0.0013 0.0013
Onchocerca volvulus 0.2309 0.4442 0.4403
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0069 0.0069
Toxoplasma gondii AMP deaminase 0.4001 0.7758 0.7743
Loa Loa (eye worm) hypothetical protein 0.0052 0.0021 0.0021
Loa Loa (eye worm) oxidoreductase 0.0077 0.0069 0.0069
Echinococcus multilocularis integrin alpha ps 0.01 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0052 0.0021 0.0021
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.4001 0.7758 1
Echinococcus granulosus aldo keto reductase 0.0077 0.0069 0.0069
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0069 0.0069
Entamoeba histolytica adenosine deaminase, putative 0.5146 1 1
Trypanosoma cruzi AMP deaminase 2, putative 0.2309 0.4442 0.5687
Loa Loa (eye worm) oxidoreductase 0.0077 0.0069 0.0069
Schistosoma mansoni integrin alpha-ps 0.01 0.0115 0.0115
Trypanosoma cruzi AMP deaminase, putative 0.4001 0.7758 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0021 0.0021
Trypanosoma brucei AMP deaminase, putative 0.4001 0.7758 1
Loa Loa (eye worm) AMP deaminase 0.4001 0.7758 0.7758
Schistosoma mansoni jumonji domain containing protein 0.0089 0.0093 0.0093
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0069 0.0069
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0069 0.0069
Mycobacterium ulcerans adenosine deaminase 0.5146 1 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.5146 1 1
Loa Loa (eye worm) hypothetical protein 0.2309 0.4442 0.4442
Loa Loa (eye worm) hypothetical protein 0.2837 0.5477 0.5477
Brugia malayi Integrin alpha pat-2 precursor 0.01 0.0115 0.0115
Schistosoma mansoni adenosine deaminase 0.5146 1 1
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.4001 0.7758 1
Echinococcus granulosus jumonji domain containing protein 0.0048 0.0012 0.0012
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0069 0.0069
Trichomonas vaginalis set domain proteins, putative 0.0277 0.0463 0.0396
Brugia malayi jmjC domain containing protein 0.0112 0.0138 0.0138
Onchocerca volvulus AMP deaminase 2 homolog 0.4001 0.7758 0.7743
Entamoeba histolytica adenosine deaminase, putative 0.5146 1 1
Loa Loa (eye worm) oxidoreductase 0.0077 0.0069 0.0069
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0069 0.0069
Leishmania major adenine aminohydrolase 0.5146 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.0069 0.0069
Loa Loa (eye worm) integrin beta-2 0.0343 0.0591 0.0591
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0048 0.0013 0.0013
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.0069 0.0069
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.4001 0.7758 0.7743
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0069 0.0069
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0112 0.0138 0.0138
Trypanosoma brucei AMP deaminase, putative 0.4001 0.7758 1
Schistosoma mansoni integrin alpha 0.01 0.0115 0.0115
Brugia malayi Kelch motif family protein 0.0052 0.0021 0.0021
Trypanosoma brucei AMP deaminase, putative 0.4001 0.7758 1
Schistosoma mansoni hypothetical protein 0.0048 0.0013 0.0013
Trypanosoma cruzi AMP deaminase, putative 0.4001 0.7758 1
Echinococcus multilocularis aldo keto reductase 0.0077 0.0069 0.0069
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.5146 1 1
Leishmania major hypothetical protein, conserved 0.2309 0.4442 0.4403
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0069 0.0069
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.5146 1 1
Loa Loa (eye worm) hypothetical protein 0.2837 0.5477 0.5477
Trypanosoma cruzi AMP deaminase, putative 0.4001 0.7758 1
Echinococcus multilocularis aldehyde reductase 0.0054 0.0025 0.0025
Echinococcus multilocularis aldo keto reductase 0.0077 0.0069 0.0069
Brugia malayi adenosine monophosphate deaminase 0.4001 0.7758 0.7758
Schistosoma mansoni aldo-keto reductase 0.0077 0.0069 0.0069
Echinococcus multilocularis aldo keto reductase 0.0077 0.0069 0.0069
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0069 0.0069
Echinococcus multilocularis integrin alpha 3 0.0048 0.0013 0.0013
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.1693 0.3235 0.3235
Trichomonas vaginalis adenosine deaminase, putative 0.5146 1 1
Schistosoma mansoni aldo-keto reductase 0.0077 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.2837 0.5477 0.5477
Echinococcus granulosus aldehyde reductase 0.0054 0.0025 0.0025
Schistosoma mansoni adenosine deaminase-related 0.5146 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0069 0.0069
Entamoeba histolytica AMP deaminase, putative 0.4001 0.7758 0.7743
Loa Loa (eye worm) hypothetical protein 0.0077 0.0069 0.0069
Loa Loa (eye worm) oxidoreductase 0.0077 0.0069 0.0069
Echinococcus multilocularis jumonji domain containing protein 0.0048 0.0012 0.0012
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0244 0.0397 0.0397
Echinococcus multilocularis AMP deaminase 2 0.4001 0.7758 0.7758
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0069 0.0069
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.0069 0.0069
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0077 0.0069 0.0044
Schistosoma mansoni pol-related 0.0077 0.0069 0.0069
Echinococcus granulosus integrin alpha 3 0.0048 0.0013 0.0013
Plasmodium falciparum adenosine deaminase 0.5146 1 1
Echinococcus multilocularis aldo keto reductase 0.0077 0.0069 0.0069
Echinococcus granulosus integrin beta 2 0.0254 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.5146 1 1
Onchocerca volvulus Adenosine deaminase homolog 0.5146 1 1
Echinococcus multilocularis integrin alpha ps 0.01 0.0115 0.0115
Loa Loa (eye worm) oxidoreductase 0.0077 0.0069 0.0069
Echinococcus granulosus integrin alpha ps 0.01 0.0115 0.0115
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0069 0.0069
Trypanosoma cruzi AMP deaminase, putative 0.4001 0.7758 1
Brugia malayi hypothetical protein 0.0052 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.2837 0.5477 0.5477
Loa Loa (eye worm) integrin alpha pat-2 0.01 0.0115 0.0115
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.4001 0.7758 1
Trichomonas vaginalis adenosine deaminase, putative 0.5146 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0069 0.0069
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.4001 0.7758 0.7743
Entamoeba histolytica AMP deaminase, putative 0.4001 0.7758 0.7743
Onchocerca volvulus 0.0277 0.0463 0.0396
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.4001 0.7758 0.7743
Loa Loa (eye worm) hypothetical protein 0.0048 0.0013 0.0013
Echinococcus granulosus aldo keto reductase 0.0077 0.0069 0.0069
Giardia lamblia Aldose reductase 0.0077 0.0069 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0069 0.0069
Echinococcus granulosus aldo keto reductase 0.0077 0.0069 0.0069
Brugia malayi Pre-SET motif family protein 0.0244 0.0397 0.0397
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.5146 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0069 0.0069
Leishmania major AMP deaminase, putative 0.4001 0.7758 0.7743
Schistosoma mansoni integrin alpha-ps 0.0052 0.0021 0.0021
Echinococcus granulosus integrin alpha ps 0.0048 0.0013 0.0013
Brugia malayi Integrin beta pat-3 precursor 0.0343 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.0059 0.0034 0.0034
Echinococcus multilocularis adenosine deaminase 0.5146 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0069 0.0069
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0069 0.0069
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0057 0.0057
Treponema pallidum adenosine deaminase 0.5146 1 0.5
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0052 0.0021 0.0021
Echinococcus multilocularis integrin beta 2 0.0254 0.0416 0.0416
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.0069 0.0069
Echinococcus granulosus AMP deaminase 2 0.4001 0.7758 0.7758
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0069 0.0069
Trypanosoma cruzi AMP deaminase, putative 0.4001 0.7758 1
Echinococcus granulosus adenosine deaminase 0.5146 1 1
Plasmodium vivax adenosine deaminase, putative 0.5146 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0013 0.0013
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.0069 0.0069
Schistosoma mansoni integrin beta subunit 0.0202 0.0314 0.0314

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.18 mg kg-1 day-1 Dose required for inhibition of sorbital accumulation in the sciatic nerve of streptozotocin- induced diabetic rat. ChEMBL. 9767647
IC50 (binding) = 0.015 uM In vitro inhibitory activity against aldose reductase in porcine lens. ChEMBL. 9767647
IC50 (binding) = 0.015 uM Inhibition of aldose reductase ChEMBL. 17870536
IC50 (binding) = 0.015 uM In vitro inhibitory activity against aldose reductase in porcine lens. ChEMBL. 9767647
IC50 (binding) = 0.015 uM Inhibition of aldose reductase ChEMBL. 17870536

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

2 literature references were collected for this gene.

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