Detailed information for compound 889805

Basic information

Technical information
  • TDR Targets ID: 889805
  • Name: N-(4-methoxyphenyl)-2-[(4-methyl-1,2,4-triazo l-3-yl)sulfanyl]acetamide
  • MW: 278.33 | Formula: C12H14N4O2S
  • H donors: 1 H acceptors: 3 LogP: 1.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)CSc1nncn1C
  • InChi: 1S/C12H14N4O2S/c1-16-8-13-15-12(16)19-7-11(17)14-9-3-5-10(18-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,17)
  • InChiKey: SNKNUVBTVLOMDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide
  • N-(4-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
  • ST019152
  • ZINC00031571
  • BAS 02166000
  • N-(4-Methoxy-phenyl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
  • EU-0003536

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) thioredoxin 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 hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Thioredoxin reductase 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
Plasmodium berghei glutathione 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase 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
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum trypanothione 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
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi glutathione 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase 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
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
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 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
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 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
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 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
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 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
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 donovani 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 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
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 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
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 pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0391 0.0764 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0006 0.0015
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0098 0.0596
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0244 0.0221
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Treponema pallidum NADH oxidase 0.002 0.0024 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0028 0.0151
Plasmodium vivax glutathione reductase, putative 0.0057 0.0098 0.0465
Mycobacterium tuberculosis Hypothetical protein 0.0391 0.0764 0.0742
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0028 0.01
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0022 0.0028 0.0118
Mycobacterium tuberculosis Probable thymidylate synthase ThyX (ts) (TSase) 0.5029 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0024 0.5
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0028 0.0118
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0028 0.0151
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.001 0.0003 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Plasmodium falciparum thioredoxin reductase 0.0057 0.0098 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0009 0.0116
Brugia malayi glutathione reductase 0.0057 0.0098 0.0585
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0028 0.0162
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0244 0.0221
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0003 0.0043
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0006 0.0026
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0028 0.0162
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Echinococcus multilocularis serine protein kinase ATM 0.003 0.0044 0.0263
Toxoplasma gondii FATC domain-containing protein 0.003 0.0044 0.0201
Schistosoma mansoni cpg binding protein 0.0037 0.0057 0.0345
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0053 0.0309
Giardia lamblia GTOR 0.0022 0.0028 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0024 0.0092
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0024 0.0075
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0012 0.0009 0.0045
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0028 0.0151
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0022 0.0028 0.3059
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0028 0.0118
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0024 0.5
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0028 0.0118
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0244 0.0221
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Schistosoma mansoni cpg binding protein 0.0035 0.0053 0.032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0028 0.0162
Echinococcus granulosus cpg binding protein 0.0037 0.0057 0.0345
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0022 0.0028 0.0118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0098 0.0596
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0028 0.0162
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0823 0.1623 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0115 0.0643
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0024 0.0092
Brugia malayi hypothetical protein 0.0391 0.0764 0.4696
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0098 0.0465
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0823 0.1623 1
Echinococcus granulosus thymidylate synthase 0.0823 0.1623 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0012 0.0009 0.0034
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.0044 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0009 0.0116
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.0044 0.0218
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0024 0.0311
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0012 0.0009 0.0045
Schistosoma mansoni hypothetical protein 0.0043 0.0071 0.0428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0028 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0009 0.0116
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0034
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0823 0.1623 1
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0005 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0012 0.0153
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0098 0.0585
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0001 0.0007
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0071 0.0428
Entamoeba histolytica hypothetical protein 0.0043 0.0071 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0024 0.0075
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0823 0.1623 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0044 0.0252
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0024 0.0075
Brugia malayi thymidylate synthase 0.0823 0.1623 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0823 0.1623 0.1413
Mycobacterium tuberculosis Probable reductase 0.013 0.0244 0.0221
Loa Loa (eye worm) hypothetical protein 0.0026 0.0036 0.02
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0028 0.0026
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0024 0.0092
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0273 0.025
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0273 0.025
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0024 0.0137
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0131 0.0798
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0024 0.0092
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0013 0.0062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0009 0.0116
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0028 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0022 0.0028 0.0026
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0009 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Brugia malayi CXXC zinc finger family protein 0.0035 0.0053 0.0309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0012 0.0153
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0022 0.0028 0.0026
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0024 0.5
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0024 0.0092
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0028 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0009 0.0116
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0022 0.0028 0.3059
Schistosoma mansoni fkbp-rapamycin associated protein 0.0012 0.0009 0.0045
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0071 0.0428
Entamoeba histolytica hypothetical protein 0.0043 0.0071 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0028 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0024 0.0092
Brugia malayi Thioredoxin reductase 0.0057 0.0098 0.0585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0024 0.0126
Loa Loa (eye worm) glutathione reductase 0.0057 0.0098 0.0585
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0028 0.0162
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Mycobacterium ulcerans thymidylate synthase 0.0823 0.1623 0.1603
Plasmodium falciparum glutathione reductase 0.0057 0.0098 0.0465
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0823 0.1623 0.1603
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0044 0.0577
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0098 0.0553
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0028 0.0151
Entamoeba histolytica hypothetical protein 0.003 0.0044 0.568
Leishmania major trypanothione reductase 0.0057 0.0098 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Leishmania major phosphatidylinositol 3-kinase, putative 0.0022 0.0028 0.0026
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0024 0.0075
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.001 0.0003 0.0011
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0071 0.0428
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0244 0.0221
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0024 0.0075
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0024 0.0137
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0028 0.0162
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0823 0.1623 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Trypanosoma cruzi target of rapamycin kinase 3 0.0022 0.0028 0.0118
Trypanosoma brucei trypanothione reductase 0.0057 0.0098 0.0536
Entamoeba histolytica hypothetical protein 0.0043 0.0071 1
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0024 0.0311
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0273 0.025
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0244 0.0221
Loa Loa (eye worm) hypothetical protein 0.0014 0.0012 0.0052
Onchocerca volvulus 0.0823 0.1623 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0036 0.0166
Schistosoma mansoni hypothetical protein 0.001 0.0003 0.0011
Echinococcus granulosus serine protein kinase ATM 0.003 0.0044 0.0263
Schistosoma mansoni cpg binding protein 0.0037 0.0057 0.0345
Toxoplasma gondii thioredoxin reductase 0.0057 0.0098 0.0536
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0024 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0823 0.1623 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0022 0.0028 0.0026
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Toxoplasma gondii target of rapamycin (TOR), putative 0.0022 0.0028 0.01
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0273 0.003
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0013 0.0062
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0024 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Brugia malayi hypothetical protein 0.0043 0.0071 0.0417
Echinococcus multilocularis cpg binding protein 0.0037 0.0057 0.0345
Mycobacterium ulcerans FAD-dependent thymidylate synthase 0.5029 1 1
Echinococcus multilocularis thymidylate synthase 0.0823 0.1623 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0391 0.0764 0.4678
Entamoeba histolytica hypothetical protein 0.0043 0.0071 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0028 0.0365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0009 0.0116
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0823 0.1623 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0024 0.0092
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0006 0.0026
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0022 0.0028 0.0026
Loa Loa (eye worm) thymidylate synthase 0.0823 0.1623 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0024 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0008 0.0001 0.0007
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.0044 0.0201
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0024 0.0137
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0098 0.0074

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 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) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) 8.1995 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 25.9185 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 Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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