Detailed information for compound 1377473

Basic information

Technical information
  • TDR Targets ID: 1377473
  • Name: 4-(4-ethoxyphenyl)-3,5-di(phenyl)-1,2,4-triaz ole
  • MW: 341.406 | Formula: C22H19N3O
  • H donors: 0 H acceptors: 2 LogP: 4.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)n1c(nnc1c1ccccc1)c1ccccc1
  • InChi: 1S/C22H19N3O/c1-2-26-20-15-13-19(14-16-20)25-21(17-9-5-3-6-10-17)23-24-22(25)18-11-7-4-8-12-18/h3-16H,2H2,1H3
  • InChiKey: CICAOVOSYCHEBU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-ethoxyphenyl)-3,5-diphenyl-4H-1,2,4-triazole
  • MLS000575236
  • SMR000196471
  • ZINC00303640
  • Oprea1_471931

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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 granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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 berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Theileria parva thioredoxin reductase, putative 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione 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
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi trypanothione reductase, putative 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
Plasmodium berghei 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii 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
Trypanosoma cruzi isocitrate dehydrogenase, 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
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum trypanothione 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 trypanothione reductase 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani trypanothione reductase 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
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Plasmodium falciparum thioredoxin reductase 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
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
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 489 aa 22.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi TAR-binding protein 0.0076 0.2198 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0918 0.4178
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0918 0.1568
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0918 0.0918
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0024 0.0175 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0828 0.3768
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2198 1
Trichomonas vaginalis esterase, putative 0.0043 0.0918 0.1568
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2198 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0918 0.6349
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.4282 0.4282
Loa Loa (eye worm) RNA binding protein 0.0076 0.2198 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0024 0.0175 0.1207
Plasmodium falciparum glutathione reductase 0.0057 0.1446 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0918 0.1568
Toxoplasma gondii ABC1 family protein 0.0043 0.0918 0.6349
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.4282 0.4282
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1566 0.7126
Schistosoma mansoni hypothetical protein 0.0041 0.0828 0.1316
Onchocerca volvulus 0.0043 0.0918 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.4845 0.4845
Brugia malayi Thioredoxin reductase 0.0057 0.1446 0.658
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0918 0.0918
Trypanosoma brucei trypanothione reductase 0.0057 0.1446 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2198 0.3494
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1446 0.4512
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0918 0.1568
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0918 0.0918
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1446 1
Brugia malayi glutathione reductase 0.0057 0.1446 0.658
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0024 0.0175 0.0298
Loa Loa (eye worm) hypothetical protein 0.0043 0.0918 0.0658
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0918 0.146
Mycobacterium tuberculosis Probable aminotransferase 0.0171 0.5855 0.5855
Mycobacterium ulcerans hypothetical protein 0.0043 0.0918 0.1568
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0918 0.1568
Loa Loa (eye worm) beta-lactamase 0.0043 0.0918 0.0658
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0024 0.0175 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0918 0.6349
Brugia malayi RNA binding protein 0.0076 0.2198 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1566 0.7126
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0918 0.146
Treponema pallidum NADH oxidase 0.002 0 0.5
Echinococcus granulosus Aminotransferase class III 0.0024 0.0175 0.0794
Plasmodium falciparum ornithine aminotransferase 0.0024 0.0175 0.1207
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.4845 0.4845
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2198 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0918 0.0658
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0918 0.1568
Brugia malayi beta-lactamase family protein 0.0043 0.0918 0.4178
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2198 0.3494
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0024 0.0175 0.0277
Echinococcus granulosus ornithine aminotransferase 0.0024 0.0175 0.0794
Plasmodium vivax ornithine aminotransferase, putative 0.0024 0.0175 0.1207
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0918 0.4178
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0024 0.0175 0.0298
Mycobacterium tuberculosis Probable reductase 0.013 0.4282 0.4282
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0024 0.0175 0.0794
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0918 0.6349
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0918 0.1568
Mycobacterium ulcerans acetylornithine aminotransferase 0.0024 0.0175 0.0298
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.4282 0.723
Mycobacterium tuberculosis Conserved protein 0.0043 0.0918 0.0918
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1566 0.5389
Loa Loa (eye worm) hypothetical protein 0.0043 0.0918 0.0658
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.4282 0.4282
Onchocerca volvulus 0.0043 0.0918 0.5
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0024 0.0175 0.0175
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2198 0.3494
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.4845 0.4845
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0918 0.1568
Mycobacterium leprae Probable lipase LipE 0.0043 0.0918 0.1309
Brugia malayi beta-lactamase family protein 0.0043 0.0918 0.4178
Mycobacterium ulcerans hypothetical protein 0.0171 0.5855 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.4282 0.4282
Loa Loa (eye worm) hypothetical protein 0.0043 0.0918 0.0658
Loa Loa (eye worm) hypothetical protein 0.006 0.1566 0.5389
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0171 0.5855 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1446 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.1446 0.4512
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0 0.5
Plasmodium falciparum thioredoxin reductase 0.0057 0.1446 1
Mycobacterium ulcerans L-lysine aminotransferase 0.0024 0.0175 0.0298
Echinococcus multilocularis ornithine aminotransferase 0.0024 0.0175 0.0794
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0918 0.0918
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1446 0.658
Mycobacterium ulcerans lipase LipD 0.0043 0.0918 0.1568
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1446 0.658
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2198 0.3494
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0171 0.5855 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2198 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0918 0.6349
Loa Loa (eye worm) hypothetical protein 0.0043 0.0918 0.0658
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0024 0.0175 0.0175
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.4845 0.8222
Mycobacterium tuberculosis Conserved protein 0.0043 0.0918 0.0918
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0171 0.5855 0.5855
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0024 0.0175 0.0175
Onchocerca volvulus 0.0043 0.0918 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1446 0.1446
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0918 0.1309
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0024 0.0175 0.0175
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.4282 0.4282
Toxoplasma gondii thioredoxin reductase 0.0057 0.1446 1
Echinococcus multilocularis Aminotransferase class III 0.0024 0.0175 0.0794
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0024 0.0175 0.0298
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0918 0.0918
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2198 0.3494
Echinococcus multilocularis ornithine aminotransferase 0.0024 0.0175 0.0794
Echinococcus granulosus tar DNA binding protein 0.0076 0.2198 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0918 0.0918
Mycobacterium ulcerans beta-lactamase 0.0043 0.0918 0.1568
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0918 0.0918
Leishmania major trypanothione reductase 0.0057 0.1446 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0918 0.0658
Plasmodium vivax glutathione reductase, putative 0.0057 0.1446 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0918 0.0918
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0171 0.5855 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0918 0.4178
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0024 0.0175 0.0298
Brugia malayi beta-lactamase 0.0043 0.0918 0.4178
Loa Loa (eye worm) hypothetical protein 0.0043 0.0918 0.0658
Leishmania major hypothetical protein, conserved 0.0043 0.0918 0.6349

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1042 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) 1.1582 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) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 2.5119 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) 2.8184 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 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) 31.6228 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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

No literature references available for this target.

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