Detailed information for compound 1061783

Basic information

Technical information
  • TDR Targets ID: 1061783
  • Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-metho xyethyl)benzimidazol-2-yl]sulfanylacetamide
  • MW: 415.506 | Formula: C21H25N3O4S
  • H donors: 1 H acceptors: 2 LogP: 2.85 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(SCC(=O)NCc2ccc(c(c2)OC)OC)nc2c1cccc2
  • InChi: 1S/C21H25N3O4S/c1-26-11-10-24-17-7-5-4-6-16(17)23-21(24)29-14-20(25)22-13-15-8-9-18(27-2)19(12-15)28-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25)
  • InChiKey: BDHGRKFKEIVUTG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-acetamide
  • N-[(3,4-dimethoxyphenyl)methyl]-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]acetamide
  • N-(3,4-dimethoxybenzyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]acetamide
  • N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanamide
  • T5437225
  • ZINC03499074

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii 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
Loa Loa (eye worm) thioredoxin reductase 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis 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
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei thioredoxin 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Thioredoxin 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 brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
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 22.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
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 489 aa 22.9 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
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 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
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 22.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni thyroid hormone receptor 0.0026 0.0185 0.0181
Schistosoma mansoni ap endonuclease 0.0023 0.0089 0.0085
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0106 0.0106
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0026 0.0185 0.0181
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0106 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1086 0.2985
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1086 0.1083
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.096
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0185 0.0188
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0026 0.0185 0.0181
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.3209 0.8837
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.096
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0026 0.0185 0.1699
Onchocerca volvulus Protein ultraspiracle homolog 0.0026 0.0185 0.5
Leishmania major DNA polymerase eta, putative 0.0023 0.0106 0.0943
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1086 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0089 0.8311
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0106 0.0943
Plasmodium vivax glutathione reductase, putative 0.0057 0.1086 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0026 0.0185 0.0188
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0351 0.9601 1
Trypanosoma brucei unspecified product 0.0023 0.0106 0.0943
Schistosoma mansoni DNA polymerase eta 0.0023 0.0106 0.0102
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0026 0.0185 0.1699
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0026 0.0185 0.0181
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0026 0.0185 0.0181
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.3209 0.8837
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1086 0.1128
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0089 0.8311
Toxoplasma gondii thioredoxin reductase 0.0057 0.1086 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0026 0.0185 0.096
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0026 0.0185 0.1699
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0106 0.0976
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0089 0.0085
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0026 0.0185 0.0188
Schistosoma mansoni RAR-like nuclear receptor 0.0026 0.0185 0.0181
Echinococcus multilocularis dna polymerase eta 0.0023 0.0106 0.0106
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1086 1
Brugia malayi steroid hormone receptor 0.0026 0.0185 0.1699
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0089 0.0784
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0106 0.0943
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0004 0.0036
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0026 0.0185 0.1699
Echinococcus multilocularis thyroid hormone receptor alpha 0.0026 0.0185 0.0188
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0026 0.0185 0.1699
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0026 0.0185 0.1699
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0026 0.0185 0.096
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0106 0.0976
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Brugia malayi Steroid receptor seven-up type 2 0.0026 0.0185 0.1699
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0026 0.0185 0.1699
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0106 0.0102
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.096
Schistosoma mansoni thyroid hormone receptor 0.0026 0.0185 0.0181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0026 0.0185 0.096
Echinococcus granulosus ecdysone induced protein 78C 0.0026 0.0185 0.0181
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0106 0.0102
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0106 0.0943
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0313 0.2855
Brugia malayi photoreceptor-specific nuclear receptor 0.0026 0.0185 0.1699
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0026 0.0185 0.1699
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.363 1
Schistosoma mansoni coup transcription factor 0.0026 0.0185 0.0181
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.3209 0.8837
Onchocerca volvulus 0.0026 0.0185 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0185 0.0181
Loa Loa (eye worm) steroid hormone receptor 0.0026 0.0185 0.096
Brugia malayi ecdysteroid receptor 0.0026 0.0185 0.1699
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0026 0.0185 0.1699
Echinococcus multilocularis FTZ F1 alpha 0.0026 0.0185 0.0188
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0185 0.0181
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0026 0.0185 0.1699
Echinococcus granulosus dna polymerase eta 0.0023 0.0106 0.0102
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0313 0.2855
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0089 0.0784
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0106 1
Mycobacterium tuberculosis Probable reductase 0.013 0.3209 0.8837
Brugia malayi nuclear receptor NHR-88 0.0026 0.0185 0.1699
Echinococcus granulosus FTZ F1 alpha 0.0026 0.0185 0.0181
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.096
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.096
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0185 0.0188
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0089 0.0088
Echinococcus multilocularis ecdysone induced protein 78C 0.0026 0.0185 0.0188
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Echinococcus granulosus dna polymerase kappa 0.0023 0.0106 0.0102
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0089 0.0234
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0089 0.0784
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0313 0.2855
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0106 1
Leishmania major hypothetical protein, conserved 0.003 0.0313 0.2855
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0089 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.3209 0.8837
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0026 0.0185 0.0181
Brugia malayi Thioredoxin reductase 0.0057 0.1086 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0313 0.2855
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.363 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0026 0.0185 0.096
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0026 0.0185 0.096
Brugia malayi nuclear hormone receptor 0.0026 0.0185 0.1699
Schistosoma mansoni nuclear hormone receptor 0.0026 0.0185 0.0181
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0106 0.0943
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.363 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0026 0.0185 0.096
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0106 0.0102
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0089 0.0784
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0026 0.0185 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0026 0.0185 0.0181
Giardia lamblia DINP protein human, muc B family 0.0023 0.0106 1
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1086 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Brugia malayi glutathione reductase 0.0057 0.1086 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0089 0.0784
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0026 0.0185 0.0181
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0026 0.0185 0.0181
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0089 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.096
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.363 1
Onchocerca volvulus Bile acid receptor homolog 0.0026 0.0185 0.5
Plasmodium falciparum glutathione reductase 0.0057 0.1086 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0089 0.0784
Plasmodium falciparum thioredoxin reductase 0.0057 0.1086 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.3209 0.8837
Loa Loa (eye worm) hypothetical protein 0.003 0.0313 0.2247
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.096
Schistosoma mansoni steroid hormone receptor ad4bp 0.0026 0.0185 0.0181
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0106 0.0173
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0089 0.0817
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0106 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0313 0.2855
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0026 0.0185 0.1699
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0026 0.0185 0.1699
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0089 0.8311
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0026 0.0185 0.0181
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0313 0.2855
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0106 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0106 0.0106
Leishmania major trypanothione reductase 0.0057 0.1086 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0106 0.0943
Leishmania major DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Schistosoma mansoni retinoic acid receptor RXR 0.0364 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0313 0.2855
Loa Loa (eye worm) glutathione reductase 0.0057 0.1086 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Loa Loa (eye worm) hypothetical protein 0.0023 0.0106 0.0173
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0089 0.0784
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0026 0.0185 0.0181
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0106 0.0281
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0089 0.8311
Brugia malayi hypothetical protein 0.003 0.0313 0.2881
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0026 0.0185 0.1699
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.096
Trypanosoma brucei trypanothione reductase 0.0057 0.1086 1
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0185 0.1699
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0106 0.0943
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0026 0.0185 0.096
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0026 0.0185 0.0188
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0026 0.0185 0.0188
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0106 0.0281
Schistosoma mansoni ap endonuclease 0.0023 0.0089 0.0085
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0004 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0106 0.0943

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0189 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1585 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) 5.0119 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.