Detailed information for compound 1275886

Basic information

Technical information
  • TDR Targets ID: 1275886
  • Name: 4-methoxy-N-[(3-morpholin-4-ylsulfonylphenyl) carbamothioyl]benzamide
  • MW: 435.517 | Formula: C19H21N3O5S2
  • H donors: 2 H acceptors: 3 LogP: 2.26 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)NC(=S)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C19H21N3O5S2/c1-26-16-7-5-14(6-8-16)18(23)21-19(28)20-15-3-2-4-17(13-15)29(24,25)22-9-11-27-12-10-22/h2-8,13H,9-12H2,1H3,(H2,20,21,23,28)
  • InChiKey: HRCGYOMMRJMLOD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methoxy-N-[(3-morpholinosulfonylphenyl)carbamothioyl]benzamide
  • 4-methoxy-N-[[(3-morpholinosulfonylphenyl)amino]-thioxomethyl]benzamide
  • 4-methoxy-N-[(3-morpholinosulfonylphenyl)thiocarbamoyl]benzamide
  • T0513-4471
  • MLS000773534
  • SMR000364236

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative 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
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 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
Toxoplasma gondii 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
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase 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
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii thioredoxin reductase 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Brugia malayi 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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 japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis trypanothione reductase 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 vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii glutathione reductase 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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Theileria parva isocitrate dehydrogenase (NADP+), putative 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione 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
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Loa Loa (eye worm) glutathione reductase 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
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni NADP-specific 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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 japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania infantum trypanothione 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
Leishmania major trypanothione reductase 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 yoelii 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
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 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0113 0.3086 0.5815
Echinococcus granulosus intermediate filament protein 0.0033 0.0487 0.081
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0054 0.0089
Schistosoma mansoni intermediate filament proteins 0.0033 0.0487 0.0487
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0586 0.2133
Brugia malayi Cell death protein 3 precursor 0.0097 0.2555 0.4814
Echinococcus multilocularis musashi 0.0033 0.0487 0.081
Loa Loa (eye worm) hypothetical protein 0.006 0.1376 0.2592
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0764 0.1439
Schistosoma mansoni hypothetical protein 0.0041 0.0764 0.0764
Loa Loa (eye worm) hypothetical protein 0.0041 0.0764 0.1439
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.6979 0.8924
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2745 0.351
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.4904 0.8146
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0487 0.0918
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2765 0.4593
Loa Loa (eye worm) glutathione reductase 0.0103 0.2745 0.5172
Schistosoma mansoni hypothetical protein 0.0205 0.602 0.602
Schistosoma mansoni hypothetical protein 0.0019 0.0053 0.0053
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0586 0.2133
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0054 0.0089
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.1081 0.2036
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0054 0.0196
Loa Loa (eye worm) hypothetical protein 0.0051 0.1081 0.2036
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0053 0.0099
Schistosoma mansoni lamin 0.0033 0.0487 0.0487
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.7821 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0586 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0586 0.0586
Schistosoma mansoni hypothetical protein 0.0097 0.2555 0.2555
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0054 0.0196
Brugia malayi hypothetical protein 0.0182 0.5308 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0053 0.0088
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2745 0.5172
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0586 0.0973
Mycobacterium tuberculosis Probable reductase 0.0234 0.6979 0.8924
Brugia malayi CHE-14 protein 0.0051 0.1081 0.2036
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0054 0.0196
Echinococcus multilocularis apoptotic protease activating factor 1 0.0097 0.2555 0.4244
Schistosoma mansoni caspase-7 (C14 family) 0.0097 0.2555 0.2555
Echinococcus granulosus geminin 0.0205 0.602 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0053 0.0088
Schistosoma mansoni hypothetical protein 0.0019 0.0053 0.0053
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.0586 0.2133
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.1081 0.1795
Onchocerca volvulus Huntingtin homolog 0.0113 0.3086 0.5392
Echinococcus multilocularis geminin 0.0205 0.602 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.3263 0.6148
Schistosoma mansoni hypothetical protein 0.0019 0.0053 0.0053
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.3263 0.6148
Echinococcus granulosus expressed conserved protein 0.0112 0.3031 0.5035
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0054 0.0089
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0019 0.0053 0.0099
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.0586 0.2133
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0586 0.2133
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0586 0.5417
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.3322 0.3322
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0586 0.2133
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.0586 0.2133
Echinococcus multilocularis expressed conserved protein 0.0112 0.3031 0.5035
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0487 0.0918
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0053 0.0088
Toxoplasma gondii thioredoxin reductase 0.0103 0.2745 1
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.4904 0.8146
Trypanosoma brucei trypanothione reductase 0.0103 0.2745 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.7821 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0586 0.2133
Echinococcus multilocularis lamin 0.0033 0.0487 0.081
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.0282 0.053
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0036 0.0586 0.2133
Brugia malayi hypothetical protein 0.0097 0.2555 0.4814
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0586 0.2133
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0586 0.2133
Schistosoma mansoni lamin 0.0033 0.0487 0.0487
Leishmania major trypanothione reductase 0.0103 0.2745 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0001 0.0002
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0586 0.0973
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0586 0.2133
Onchocerca volvulus Huntingtin homolog 0.0113 0.3086 0.5392
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.1081 0.1795
Treponema pallidum NADH oxidase 0.0036 0.0586 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1376 0.2592
Loa Loa (eye worm) hypothetical protein 0.0062 0.145 0.2732
Echinococcus multilocularis protein patched 0.0051 0.1081 0.1795
Echinococcus granulosus lamin dm0 0.0033 0.0487 0.081
Echinococcus granulosus lamin 0.0033 0.0487 0.081
Brugia malayi intermediate filament protein 0.0033 0.0487 0.0918
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0053 0.0099
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0586 0.2133
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0054 0.0089
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0586 0.2133
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2765 0.4593
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0036 0.0586 0.2133
Schistosoma mansoni hypothetical protein 0.0019 0.0053 0.0053
Echinococcus granulosus apoptotic protease activating factor 1 0.0097 0.2555 0.4244
Loa Loa (eye worm) hypothetical protein 0.0113 0.3086 0.5815
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.3263 0.5421
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0054 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.1081 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.6979 0.8924
Plasmodium vivax glutathione reductase, putative 0.0103 0.2745 1
Schistosoma mansoni hypothetical protein 0.0077 0.1902 0.1902
Echinococcus granulosus Protein patched homolog 1 0.0051 0.1081 0.1795
Schistosoma mansoni hypothetical protein 0.0205 0.602 0.602
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0487 0.0918
Echinococcus granulosus GPCR family 2 0.0019 0.0053 0.0088
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.3263 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0036 0.0586 0.0749
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0586 0.5417
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0586 0.1103
Plasmodium falciparum glutathione reductase 0.0036 0.0586 0.2133
Loa Loa (eye worm) hypothetical protein 0.0097 0.2555 0.4814
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0054 0.0101
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0054 0.0101
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.7821 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.2555 0.4814
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.3263 0.5421
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.6979 0.8924
Echinococcus granulosus caspase 2 0.0097 0.2555 0.4244
Plasmodium falciparum thioredoxin reductase 0.0036 0.0586 0.2133
Schistosoma mansoni hypothetical protein 0.0049 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0182 0.5308 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0054 0.0196
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0586 0.2133
Onchocerca volvulus 0.0182 0.5308 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0468 0.0882
Plasmodium falciparum glutathione reductase 0.0103 0.2745 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0054 0.0089
Echinococcus multilocularis protein dispatched 1 0.0058 0.1313 0.218
Echinococcus multilocularis GPCR, family 2 0.0019 0.0053 0.0088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1376 0.2592
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0586 0.5
Brugia malayi isocitrate dehydrogenase 0.0019 0.0054 0.0101
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0053 0.0088
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0586 0.2133
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0054 0.0196
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.0282 0.053
Schistosoma mansoni hypothetical protein 0.0049 0.1022 0.1022
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0586 0.2133
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0001 0.0002
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0586 0.2133
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0586 1
Onchocerca volvulus Cell death protein 3 homolog 0.0097 0.2555 0.4289
Echinococcus multilocularis caspase 2 0.0097 0.2555 0.4244
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0053 0.0099
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0054 0.0196
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0036 0.0586 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0586 0.2133
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0586 0.2133
Brugia malayi glutathione reductase 0.0103 0.2745 0.5172
Loa Loa (eye worm) hypothetical protein 0.0033 0.0487 0.0918
Brugia malayi Thioredoxin reductase 0.0103 0.2745 0.5172
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0054 0.0069
Schistosoma mansoni hypothetical protein 0.0049 0.1022 0.1022
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.6979 0.8924
Plasmodium falciparum thioredoxin reductase 0.0103 0.2745 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.7821 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0586 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.0586 0.2133
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2745 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1376 0.2592
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0586 0.2133
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0036 0.0586 1
Schistosoma mansoni hypothetical protein 0.0049 0.1022 0.1022
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2745 1
Schistosoma mansoni patched 1 0.0051 0.1081 0.1081
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0054 0.0196
Onchocerca volvulus 0.0097 0.2555 0.4289
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0036 0.0586 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.6979 0.8924
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0054 0.0196
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0054 0.0196
Echinococcus multilocularis lamin dm0 0.0033 0.0487 0.081
Brugia malayi hypothetical protein 0.0113 0.3086 0.5815

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 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) 10 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 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) 15.8489 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) 16.3601 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) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 28.1838 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) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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
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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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