Detailed information for compound 105306

Basic information

Technical information
  • TDR Targets ID: 105306
  • Name: N-[2-[(4-bromo-2-fluorophenyl)methyl]-1,2',3, 5'-tetraoxospiro[isoquinoline-4,3'-pyrrolidin e]-1'-yl]acetamide
  • MW: 488.263 | Formula: C21H15BrFN3O5
  • H donors: 1 H acceptors: 5 LogP: 1.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NN1C(=O)CC2(C1=O)C(=O)N(Cc1ccc(cc1F)Br)C(=O)c1c2cccc1
  • InChi: 1S/C21H15BrFN3O5/c1-11(27)24-26-17(28)9-21(20(26)31)15-5-3-2-4-14(15)18(29)25(19(21)30)10-12-6-7-13(22)8-16(12)23/h2-8H,9-10H2,1H3,(H,24,27)
  • InChiKey: JXIDWOSHWDRGRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(4-bromo-2-fluoro-phenyl)methyl]-1,2',3,5'-tetraoxo-spiro[isoquinoline-4,3'-pyrrolidine]-1'-yl]acetamide
  • N-[2-[(4-bromo-2-fluorophenyl)methyl]-1,2',3,5'-tetraoxo-1'-spiro[isoquinoline-4,3'-pyrrolidine]yl]acetamide
  • N-[2-[(4-bromo-2-fluoro-phenyl)methyl]-1,2',3,5'-tetraoxo-spiro[isoquinoline-4,3'-pyrrolidine]-1'-yl]ethanamide
  • N-[2-(4-bromo-2-fluoro-benzyl)-1,2',3,5'-tetraketo-spiro[isoquinoline-4,3'-pyrrolidine]-1'-yl]acetamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0053 0.0108 0.0542
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.0305 0.0833
Echinococcus granulosus lysine specific demethylase 5A 0.0044 0.0081 0.0407
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.0305 0.0299
Schistosoma mansoni cpg binding protein 0.0037 0.0059 0.0295
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.011 0.145
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Onchocerca volvulus 0.0053 0.0108 0.1076
Brugia malayi Pre-SET motif family protein 0.0035 0.0053 0.0695
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0123
Loa Loa (eye worm) hypothetical protein 0.0054 0.011 0.145
Brugia malayi hypothetical protein 0.0233 0.065 0.856
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.003 0.0042
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0053 0.0265
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0229 0.1943
Brugia malayi jmjC domain containing protein 0.0044 0.0081 0.107
Onchocerca volvulus 0.0048 0.0092 0.0856
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0007 0.0036
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0048 0.0242
Schistosoma mansoni aldo-keto reductase 0.0053 0.0108 0.0542
Onchocerca volvulus 0.0269 0.0758 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.0305 0.0299
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0087 0.0437
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0089 0.1175
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0053 0.0108 0.469
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.003 0.0024
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.0372 0.0745
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0053 0.0108 0.0542
Mycobacterium leprae Conserved hypothetical protein 0.1125 0.3328 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0229 1
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.065 0.3259
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0089 0.0447
Onchocerca volvulus 0.0033 0.0047 0.0234
Mycobacterium ulcerans oxidoreductase 0.0053 0.0108 0.0203
Brugia malayi PHD-finger family protein 0.003 0.0039 0.0519
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.3071 0.9174 0.9173
Loa Loa (eye worm) twinkle helicase 0.0109 0.0276 0.3639
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.0816 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.0229 0.1148
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0053 0.0108 0.0542
Trichomonas vaginalis aldo/keto reductase, putative 0.0053 0.0108 0.028
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0053 0.0108 0.028
Entamoeba histolytica aldose reductase, putative 0.0053 0.0108 0.0996
Loa Loa (eye worm) hypothetical protein 0.0054 0.0111 0.146
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.003 0.0042
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.001 0.0048
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0087 0.0437
Onchocerca volvulus 0.0053 0.0108 0.1076
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.003 0.1256
Plasmodium vivax SET domain protein, putative 0.0035 0.0053 0.544
Brugia malayi jmjC domain containing protein 0.0108 0.0274 0.3609
Loa Loa (eye worm) hypothetical protein 0.0029 0.0035 0.0459
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0047 0.0235
Entamoeba histolytica aldose reductase, putative 0.0053 0.0108 0.0996
Echinococcus granulosus aldehyde reductase 0.0038 0.0062 0.0311
Schistosoma mansoni zinc finger protein 0.0024 0.0021 0.0107
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0382 0.1095 0.323
Trypanosoma brucei prostaglandin f synthase 0.0053 0.0108 0.469
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0053 0.0108 0.0542
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0053 0.0108 0.1423
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0065 0.0327
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0048 0.1208
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0035 0.3193
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0053 0.0265
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0053 0.0108 0.0542
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0071 0.0358
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0007 0.0036
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.016 0.0803
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0123
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0053 0.0108 0.0542
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0229 0.1943
Echinococcus granulosus peregrin 0.0036 0.0056 0.0282
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0053 0.0108 0.0542
Plasmodium vivax glutathione reductase, putative 0.0047 0.0089 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.003 0.0392
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0053 0.0108 0.0542
Echinococcus granulosus hypothetical protein 0.0053 0.0108 0.0542
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.003 0.1256
Loa Loa (eye worm) hypothetical protein 0.0233 0.065 0.856
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Mycobacterium ulcerans hypothetical protein 0.0421 0.1215 0.2473
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0031 0.0157
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0123
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0048 0.0242
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0053 0.0108 0.469
Brugia malayi Bromodomain containing protein 0.0036 0.0056 0.0742
Loa Loa (eye worm) glutaminase 2 0.027 0.076 1
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0089 1
Brugia malayi Bromodomain containing protein 0.0043 0.0079 0.1046
Giardia lamblia Kinase, PLK 0.0093 0.0229 0.2356
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.0816 1
Schistosoma mansoni cpg binding protein 0.0033 0.0047 0.0235
Loa Loa (eye worm) glutaminase 0.027 0.076 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0053 0.1614
Echinococcus multilocularis zinc finger protein 0.0024 0.0021 0.0107
Schistosoma mansoni jumonji domain containing protein 0.0086 0.0207 0.1039
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0053 0.0265
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.0816 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.0253 0.3325
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0382 0.1095 0.2228
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0009 0.0121
Entamoeba histolytica hypothetical protein 0.0039 0.0065 0.0452
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0253 0.1266
Trypanosoma brucei polo-like protein kinase 0.0093 0.0229 1
Trypanosoma brucei recA bacterial DNA recombination protein, putative 0.0033 0.0048 0.2036
Brugia malayi glutathione reductase 0.0047 0.0089 0.1175
Echinococcus multilocularis aldehyde reductase 0.0038 0.0062 0.0311
Chlamydia trachomatis recombinase RecA 0.0107 0.0269 0.2392
Trypanosoma cruzi aldo/keto reductase, putative 0.0053 0.0108 0.469
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0253 0.1266
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.0269 0.0263
Brugia malayi Thioredoxin reductase 0.0047 0.0089 0.1175
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0059 0.0779
Brugia malayi AMP-binding enzyme family protein 0.0027 0.003 0.0392
Trypanosoma cruzi DNA repair protein, putative 0.0033 0.0048 0.2036
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0089 0.0083
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0047 0.0616
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Echinococcus granulosus microtubule associated protein 2 0.0681 0.1996 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.0269 0.0725
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0009 0.0003
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0035 0.3193
Echinococcus multilocularis aldo keto reductase 0.0053 0.0108 0.0542
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0053 0.0108 0.028
Loa Loa (eye worm) hypothetical protein 0.0053 0.0108 0.1423
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0053 0.0108 0.1423
Toxoplasma gondii aldose reductase, putative 0.0053 0.0108 0.6581
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.065 0.3259
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0253 0.1266
Loa Loa (eye worm) oxidoreductase 0.0053 0.0108 0.1423
Loa Loa (eye worm) hypothetical protein 0.0037 0.0059 0.0779
Echinococcus multilocularis aldo keto reductase 0.0053 0.0108 0.0542
Brugia malayi CXXC zinc finger family protein 0.0033 0.0047 0.0616
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0053 0.0108 0.0542
Loa Loa (eye worm) hypothetical protein 0.008 0.019 0.2499
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0253 0.1266
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0123
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0111 0.0556
Schistosoma mansoni hypothetical protein 0.0023 0.0019 0.0097
Loa Loa (eye worm) oxidoreductase 0.0053 0.0108 0.1423
Onchocerca volvulus 0.0053 0.0108 0.1076
Echinococcus granulosus histone lysine methyltransferase setb 0.0054 0.0111 0.0556
Trypanosoma brucei trypanothione reductase 0.0047 0.0089 0.3865
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.0305 0.0299
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Brugia malayi glutaminase DH11.1 0.027 0.076 1
Leishmania major aldo-keto reductase-like protein 0.0053 0.0108 0.469
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0089 0.3865
Schistosoma mansoni Replicative DNA helicase 0.0382 0.1095 0.5488
Loa Loa (eye worm) hypothetical protein 0.005 0.01 0.1314
Loa Loa (eye worm) oxidoreductase 0.0053 0.0108 0.1423
Brugia malayi Pre-SET motif family protein 0.0237 0.066 0.8686
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0035 0.148
Loa Loa (eye worm) jmjC domain-containing protein 0.0044 0.0081 0.107
Schistosoma mansoni cpg binding protein 0.0037 0.0059 0.0295
Mycobacterium leprae Conserved hypothetical protein 0.0038 0.0062 0.0098
Mycobacterium tuberculosis Probable reductase 0.0106 0.0269 0.0263
Echinococcus granulosus aldo keto reductase 0.0053 0.0108 0.0542
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0053 0.0108 0.0542
Toxoplasma gondii thioredoxin reductase 0.0047 0.0089 0.4889
Giardia lamblia Fructose-bisphosphate aldolase 0.0289 0.0816 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0065 0.0327
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0053 0.0108 0.0542
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0229 0.1148
Loa Loa (eye worm) oxidoreductase 0.0053 0.0108 0.1423
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0229 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.0269 0.0263
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0229 0.1943
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0108 0.0274 0.1374
Treponema pallidum replicative DNA helicase (dnaB) 0.0382 0.1095 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0053 0.0108 0.0542
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.0816 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Brugia malayi hypothetical protein 0.0039 0.0065 0.086
Echinococcus granulosus geminin 0.0192 0.0526 0.2636
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.0229 1
Brugia malayi F/Y-rich N-terminus family protein 0.0024 0.0022 0.0284
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.0372 0.0367
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0053 0.0108 0.0542
Mycobacterium tuberculosis Chorismate mutase 0.1642 0.4883 0.488
Echinococcus multilocularis dnaJ subfamily B 0.0464 0.1342 0.6725
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0048 0.1208
Entamoeba histolytica aldose reductase, putative 0.0053 0.0108 0.0996
Plasmodium falciparum thioredoxin reductase 0.0047 0.0089 1
Trypanosoma cruzi DNA repair protein, putative 0.0033 0.0048 0.2036
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0007 0.0036
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0053 0.0108 0.0542
Mycobacterium ulcerans chorismate mutase 0.1642 0.4883 1
Echinococcus granulosus aldo keto reductase 0.0053 0.0108 0.0542
Trichomonas vaginalis glutaminase, putative 0.027 0.076 0.923
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Trichomonas vaginalis set domain proteins, putative 0.0269 0.0758 0.9204
Leishmania major trypanothione reductase 0.0047 0.0089 0.3865
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0071 0.0358
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0065 0.0327
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0392
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0392
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0089 0.0447
Onchocerca volvulus 0.0053 0.0108 0.1076
Brugia malayi AMP-binding enzyme family protein 0.0027 0.003 0.0392
Echinococcus multilocularis aldo keto reductase 0.0053 0.0108 0.0542
Schistosoma mansoni zinc finger protein 0.0017 0.0001 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.0816 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0035 0.148
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.0816 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0154 0.2027
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.0253 0.3325
Schistosoma mansoni hypothetical protein 0.0192 0.0526 0.2636
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0053 0.0108 0.0542
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Chlamydia trachomatis replicative DNA helicase 0.0382 0.1095 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0059 0.0295
Treponema pallidum fructose-bisphosphate aldolase 0.0289 0.0816 0.6619
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0229 0.1943
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0035 0.3193
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0123
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.0229 0.2739
Schistosoma mansoni bromodomain containing protein 0.0074 0.017 0.0852
Leishmania major hypothetical protein, conserved 0.0029 0.0035 0.148
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.0229 0.3016
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0111 0.0556
Echinococcus multilocularis microtubule associated protein 2 0.0681 0.1996 1
Schistosoma mansoni hypothetical protein 0.0037 0.0059 0.0296
Echinococcus multilocularis peregrin 0.0036 0.0056 0.0282
Echinococcus granulosus cpg binding protein 0.0037 0.0059 0.0295
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0048 0.0242
Loa Loa (eye worm) oxidoreductase 0.0053 0.0108 0.1423
Schistosoma mansoni aldo-keto reductase 0.0053 0.0108 0.0542
Mycobacterium leprae RECA PROTEIN (RECOMBINASE A) [CONTAINS: Mle RECA INTEIN]. 0.0107 0.0269 0.0725
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0053 0.0108 0.0542
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.0069 0.0347
Onchocerca volvulus 0.0053 0.0108 0.1076
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0081 0.0407
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.011 0.145
Schistosoma mansoni hypothetical protein 0.0192 0.0526 0.2636
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0048 0.4875
Onchocerca volvulus 0.0035 0.0053 0.0317
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.003 0.0042
Loa Loa (eye worm) hypothetical protein 0.0046 0.0088 0.1155
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.0816 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.0269 0.0263
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0053 0.0108 0.0542
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.003 0.1256
Entamoeba histolytica hypothetical protein 0.0039 0.0065 0.0452
Onchocerca volvulus 0.0053 0.0108 0.1076
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.0158 0.0791
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0253 0.1266
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.0229 0.3016
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.011 0.145
Echinococcus multilocularis aldo keto reductase 0.0053 0.0108 0.0542
Trypanosoma cruzi aldo-keto reductase 0.0053 0.0108 0.469
Giardia lamblia Aldose reductase 0.0053 0.0108 0.0779
Echinococcus granulosus zinc finger protein 0.0024 0.0021 0.0107
Echinococcus granulosus dnaJ subfamily B 0.0464 0.1342 0.6725
Mycobacterium leprae Conserved hypothetical protein 0.0421 0.1215 0.3592
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0054 0.0111 0.0556
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.0269 0.0263
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0108 0.0274 0.1374
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0146 1
Mycobacterium ulcerans recombinase A 0.0107 0.0269 0.0533
Schistosoma mansoni hypothetical protein 0.0039 0.0065 0.0327
Leishmania major prostaglandin f synthase, putative 0.0053 0.0108 0.469
Schistosoma mansoni hypothetical protein 0.0464 0.1342 0.6725
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0053 0.0108 0.028
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0253 0.1266
Mycobacterium ulcerans glutaminase 0.027 0.076 0.154
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0092 0.1212
Echinococcus multilocularis geminin 0.0192 0.0526 0.2636
Loa Loa (eye worm) hypothetical protein 0.0057 0.0119 0.1569
Trichomonas vaginalis aldo/keto reductase, putative 0.0053 0.0108 0.028
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0229 0.1943
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.003 0.0042
Onchocerca volvulus Alhambra homolog 0.0033 0.0048 0.0255
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.0269 0.0263
Trypanosoma brucei aldo-keto reductase, putative 0.0053 0.0108 0.469
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.003 0.0042
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0007 0.0036
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Mycobacterium tuberculosis Chorismate mutase 0.0421 0.1215 0.1209
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0392
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.003 0.0042
Brugia malayi hypothetical protein 0.0029 0.0035 0.0459
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.0816 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0081 0.0407
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0253 0.1266
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.0816 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.0229 0.2537
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0035 0.148
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.003 0.0042
Schistosoma mansoni pol-related 0.0053 0.0108 0.0542
Schistosoma mansoni microtubule-associated protein tau 0.0681 0.1996 1
Echinococcus granulosus aldo keto reductase 0.0053 0.0108 0.0542
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0048 0.0636
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.0372 0.1039
Schistosoma mansoni survival motor neuron protein 0.0048 0.0092 0.0461
Loa Loa (eye worm) hypothetical protein 0.0033 0.0048 0.0636
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.003 0.0024
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.0229 0.1148
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0053 0.0108 0.0542
Trichomonas vaginalis aldo-keto reductase, putative 0.0053 0.0108 0.028
Schistosoma mansoni hypothetical protein 0.0033 0.0048 0.0242
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0031 0.0157
Loa Loa (eye worm) glutathione reductase 0.0047 0.0089 0.1175
Brugia malayi PHD-finger family protein 0.0033 0.0048 0.0636
Mycobacterium tuberculosis Probable oxidoreductase 0.0053 0.0108 0.0102
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0053 0.0108 0.1423
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0031 0.0157
Schistosoma mansoni kinase 0.0047 0.0091 0.0458
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0053 0.0108 0.0542
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0053 0.0108 0.1423
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.0158 0.0791
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0053 0.0108 0.0237
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.066 0.8686
Trichomonas vaginalis aldo/keto reductase, putative 0.0053 0.0108 0.028
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0053 0.0108 0.0542
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0382 0.1095 1
Brugia malayi hypothetical protein 0.0018 0.0004 0.0058
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0229 0.1943
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0229 0.1943
Schistosoma mansoni glutaminase 0.027 0.076 0.3807
Schistosoma mansoni hypothetical protein 0.0017 0.0001 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.0816 1
Plasmodium falciparum phd finger protein, putative 0.0033 0.0048 0.4875
Entamoeba histolytica hypothetical protein 0.0039 0.0065 0.0452
Loa Loa (eye worm) hypothetical protein 0.0043 0.008 0.1049
Plasmodium falciparum glutathione reductase 0.0047 0.0089 1
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0019 0.0254
Brugia malayi Bromodomain containing protein 0.0087 0.021 0.2764
Giardia lamblia Aldose reductase 0.0053 0.0108 0.0779
Mycobacterium ulcerans hypothetical protein 0.0027 0.003 0.0042
Schistosoma mansoni hypothetical protein 0.0048 0.0092 0.0461
Entamoeba histolytica hypothetical protein 0.0039 0.0065 0.0452

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) % Inhibition of aldose reductase activity in partially purified bovine lens preparation at 10e-5 M ChEMBL. 8027987
Inhibition (binding) NA 0 % Inhibition of aldose reductase activity in partially purified bovine lens preparation at 10e-5 M ChEMBL. 8027987
Inhibition (functional) = 25 % Tested for in vivo inhibition of galactitol accumulation in the lens of galactose-fed rats at the dose of 57.2 (mg/kg/day) ChEMBL. 8027987
Inhibition (functional) = 73 % Tested for in vivo inhibition of galactitol accumulation in the sciatic nerve of galactose-fed rats at the dose of 57.2 (mg/kg/day) ChEMBL. 8027987

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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