Detailed information for compound 149283

Basic information

Technical information
  • TDR Targets ID: 149283
  • Name: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H- benzimidazole
  • MW: 275.286 | Formula: C11H9N5O2S
  • H donors: 1 H acceptors: 4 LogP: 2.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ncn(c1Sc1nc2c([nH]1)cccc2)C
  • InChi: 1S/C11H9N5O2S/c1-15-6-12-9(16(17)18)10(15)19-11-13-7-4-2-3-5-8(7)14-11/h2-6H,1H3,(H,13,14)
  • InChiKey: FSUBLVKGNQIAEM-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole
  • 2-[(3-methyl-5-nitro-4-imidazolyl)thio]-1H-benzimidazole
  • 2-[(3-methyl-5-nitro-imidazol-4-yl)thio]-1H-benzimidazole
  • 5-(1H-benzimidazol-2-ylsulfanyl)-N-hydroxy-1-methylimidazol-4-amine oxide
  • N-[5-(1H-benzimidazol-2-ylsulfanyl)-1-methylimidazol-4-yl]-N-oxidohydroxylamine
  • 5-(1H-benzimidazol-2-ylsulfanyl)-N-hydroxy-1-methyl-imidazol-4-amine oxide
  • N-[5-(1H-benzimidazol-2-ylsulfanyl)-1-methyl-imidazol-4-yl]-N-oxido-hydroxylamine
  • 5-(1H-benzimidazol-2-ylthio)-N-hydroxy-1-methyl-4-imidazolamine oxide
  • N-[5-(1H-benzimidazol-2-ylthio)-1-methyl-4-imidazolyl]-N-oxidohydroxylamine
  • N-[5-(1H-benzimidazol-2-ylthio)-1-methyl-imidazol-4-yl]-N-oxido-hydroxylamine
  • 5-(1H-benzimidazol-2-ylthio)-N-hydroxy-1-methyl-imidazol-4-amine oxide
  • A1793/0075948
  • ZINC00068596
  • NCI60_010158
  • MLS001049308
  • Oprea1_070311
  • 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole
  • EU-0018393
  • SMR000427367
  • 2-((4-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-1H-benzimidazole
  • AIDS-133969
  • AIDS133969
  • NSC631129

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0337 0.6993 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.052 0.052
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0038 0.0311 0.0268
Leishmania major hypothetical protein, conserved 0.0054 0.0685 0.0329
Onchocerca volvulus 0.0171 0.3285 1
Mycobacterium tuberculosis Probable reductase 0.0337 0.6993 0.8837
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1083 0.1419
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.111 0.2302
Brugia malayi Bromodomain containing protein 0.0091 0.1496 0.2171
Loa Loa (eye worm) thioredoxin reductase 0.0148 0.2769 0.4321
Brugia malayi glutathione reductase 0.0148 0.2769 0.4216
Brugia malayi Thioredoxin reductase 0.0148 0.2769 0.4216
Trypanosoma cruzi polo-like protein kinase, putative 0.0107 0.1855 0.576
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0441 0.0579
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1855 0.2156
Treponema pallidum NADH oxidase 0.0051 0.0614 0.5
Trichomonas vaginalis glutaminase, putative 0.0309 0.6369 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.111 0.0862
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0107 0.1855 0.2432
Loa Loa (eye worm) hypothetical protein 0.0054 0.0685 0.1036
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0051 0.0614 0.5
Loa Loa (eye worm) glutaminase 2 0.0309 0.6369 1
Echinococcus multilocularis geminin 0.0365 0.7629 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.3285 0.5135
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1855 0.2156
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1855 0.2156
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0051 0.0614 0.0755
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1855 0.2156
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0374 0.7832 1
Trypanosoma cruzi trypanothione reductase, putative 0.0148 0.2769 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0614 0.0754
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0685 0.0329
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.2484 0.3873
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.008 0.0105
Brugia malayi serine/threonine-protein kinase plk-2 0.0107 0.1855 0.2749
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1855 0.2156
Schistosoma mansoni kinase 0.0054 0.0683 0.0683
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0049 0.0571 0.0856
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0685 0.0329
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.052 0.0681
Schistosoma mansoni hypothetical protein 0.0035 0.0252 0.0252
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0652 0.0065
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.111 0.1455
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0443 0.058
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1855 0.2156
Plasmodium falciparum glutathione reductase 0.0148 0.2769 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0252 0.0353
Schistosoma mansoni hypothetical protein 0.0365 0.7629 0.7629
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0614 0.0923
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.111 0.111
Entamoeba histolytica serine/threonine protein kinase, putative 0.0107 0.1855 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0614 0.0754
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.111 0.0862
Trypanosoma cruzi polo-like protein kinase, putative 0.0107 0.1855 0.576
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0685 0.0329
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0685 0.0329
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0051 0.0614 0.0805
Loa Loa (eye worm) hypothetical protein 0.0051 0.0614 0.0923
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0374 0.7832 1
Schistosoma mansoni serine/threonine protein kinase 0.0107 0.1855 0.1855
Mycobacterium tuberculosis Probable dehydrogenase 0.0337 0.6993 0.8837
Brugia malayi glutaminase DH11.1 0.0309 0.6369 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.2484 0.3873
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0374 0.7832 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0016 0.0021
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.111 0.1455
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.111 0.0862
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1855 0.2156
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0051 0.0614 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.052 0.0681
Brugia malayi hypothetical protein 0.0054 0.0685 0.0869
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.052 0.0774
Giardia lamblia Kinase, PLK 0.0107 0.1855 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0337 0.6993 0.8837
Plasmodium falciparum thioredoxin reductase 0.0148 0.2769 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0252 0.0174
Echinococcus multilocularis thioredoxin glutathione reductase 0.0148 0.2782 0.3647
Schistosoma mansoni hypothetical protein 0.0365 0.7629 0.7629
Loa Loa (eye worm) glutaminase 0.0309 0.6369 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.008 0.008
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0038 0.0311 0.0268
Schistosoma mansoni hypothetical protein 0.0025 0.0029 0.0029
Plasmodium vivax thioredoxin reductase, putative 0.0148 0.2769 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0685 0.0329
Schistosoma mansoni bromodomain containing protein 0.0076 0.1179 0.1179
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0685 0.0329
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.008 0.0105
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0107 0.1855 0.2881
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0051 0.0614 0.5
Brugia malayi Bromodomain containing protein 0.0046 0.0505 0.058
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0051 0.0614 0.0614
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0148 0.2769 0.2985
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0337 0.6993 0.8837
Trypanosoma brucei trypanothione reductase 0.0148 0.2769 1
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0685 0.0329
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.052 0.052
Loa Loa (eye worm) glutathione reductase 0.0148 0.2769 0.4321
Brugia malayi hypothetical protein 0.0171 0.3285 0.5045
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0107 0.1855 0.576
Trypanosoma brucei polo-like protein kinase 0.0107 0.1855 0.576
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0652 0.0065
Echinococcus granulosus geminin 0.0365 0.7629 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1083 0.1419
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0337 0.6993 0.8837
Loa Loa (eye worm) hypothetical protein 0.0046 0.0507 0.0755
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0443 0.0443
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0016 0.0021
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0107 0.1855 0.2432
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.052 0.0681
Leishmania major trypanothione reductase 0.0148 0.2769 1
Mycobacterium ulcerans glutaminase 0.0309 0.6369 1
Brugia malayi hypothetical protein 0.0035 0.0255 0.0179
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0441 0.0579
Mycobacterium tuberculosis Probable oxidoreductase 0.0374 0.7832 1
Schistosoma mansoni glutaminase 0.0309 0.6369 0.6369
Brugia malayi MH2 domain containing protein 0.0135 0.2484 0.3759
Echinococcus granulosus thioredoxin glutathione reductase 0.0148 0.2782 0.3647
Schistosoma mansoni hypothetical protein 0.0024 0.0016 0.0016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.052 0.0681
Schistosoma mansoni hypothetical protein 0.0043 0.0443 0.0443
Brugia malayi hypothetical protein 0.0043 0.0443 0.048
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.052 0.0603
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.111 0.2302
Loa Loa (eye worm) hypothetical protein 0.0085 0.138 0.2132
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.111 0.111
Toxoplasma gondii thioredoxin reductase 0.0148 0.2769 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0051 0.0614 0.0805
Loa Loa (eye worm) hypothetical protein 0.0052 0.0623 0.0937
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.111 0.0687
Plasmodium vivax glutathione reductase, putative 0.0148 0.2769 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0443 0.058

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) ND 0 uM Inhibition of human mixed leukocyte proliferation in vitro; Not determined. ChEMBL. 8709098
GI50 (functional) -5.032 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.884 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.847 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.833 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.733 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.719 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.701 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.642 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
Inhibition (functional) ND 0 % Inhibition of lymphocyte proliferation in vitro by 10 uM: No data. ChEMBL. 8709098
Inhibition (functional) = 90 % Inhibition of lymphocyte proliferation in vitro by 25 uM. ChEMBL. 8709098
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 8.1995 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 9.2 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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