Detailed information for compound 1494870

Basic information

Technical information
  • TDR Targets ID: 1494870
  • Name: ethyl 2-[6-carbamoyl-9-cyclohexyl-2-(3-methyl phenyl)-8-oxopurin-7-yl]acetate
  • MW: 437.492 | Formula: C23H27N5O4
  • H donors: 1 H acceptors: 5 LogP: 2.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cn1c(=O)n(c2c1c(nc(n2)c1cccc(c1)C)C(=O)N)C1CCCCC1
  • InChi: 1S/C23H27N5O4/c1-3-32-17(29)13-27-19-18(20(24)30)25-21(15-9-7-8-14(2)12-15)26-22(19)28(23(27)31)16-10-5-4-6-11-16/h7-9,12,16H,3-6,10-11,13H2,1-2H3,(H2,24,30)
  • InChiKey: ARFYNBHFZKZFOF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[6-carbamoyl-9-cyclohexyl-2-(3-methylphenyl)-8-oxo-purin-7-yl]acetate
  • 2-[6-carbamoyl-9-cyclohexyl-2-(3-methylphenyl)-8-oxo-7-purinyl]acetic acid ethyl ester
  • 2-[6-carbamoyl-9-cyclohexyl-8-keto-2-(3-methylphenyl)purin-7-yl]acetic acid ethyl ester
  • ethyl 2-[6-aminocarbonyl-9-cyclohexyl-2-(3-methylphenyl)-8-oxo-purin-7-yl]ethanoate
  • G656-0117
  • NCGC00132594-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Glutathione reductase, related 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 falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium vivax thioredoxin reductase, putative 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
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_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Cryptosporidium hominis thioredoxin 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
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) thioredoxin reductase 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 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 dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania major 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 mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
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 vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH2 domain containing protein 0.0144 0.7777 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2676 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.251 0.2201
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.6962 0.8837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.251 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.251 0.9272
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0489 0.5
Trypanosoma brucei trypanothione reductase 0.0057 0.2676 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0489 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2676 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1859 0.7408
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1695 0.6753
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.1695 0.6335
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0489 0.0408
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0489 0.0408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.2045 0.8147
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0396 0.051
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.251 0.9272
Loa Loa (eye worm) glutathione reductase 0.0057 0.2676 0.344
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0489 0.0408
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.251 0.9272
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0489 0.195
Mycobacterium tuberculosis Probable reductase 0.013 0.6962 0.8837
Toxoplasma gondii thioredoxin reductase 0.0057 0.2676 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.251 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1695 0.6753
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0489 0.0408
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0489 0.0408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1044 0.4161
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1695 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1211 0.4826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.123 0.4901
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1047 0.4171
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.6962 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7814 1
Plasmodium falciparum glutathione reductase 0.0057 0.2676 1
Plasmodium falciparum thioredoxin reductase 0.0057 0.2676 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1695 0.6753
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2676 0.344
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0489 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1044 0.4161
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.7777 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2676 0.2985
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.6962 0.8837
Brugia malayi glutathione reductase 0.0057 0.2676 0.3284
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1695 0.6753
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7814 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0489 0.0408
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0489 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1044 0.4161
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.7777 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1859 0.7408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1859 0.7408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1859 0.7408
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.1862 0.6429
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0489 0.0408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0396 0.1579
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0489 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.123 0.4901
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0489 0.0408
Brugia malayi Thioredoxin reductase 0.0057 0.2676 0.3284
Plasmodium vivax glutathione reductase, putative 0.0057 0.2676 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0489 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0489 0.0408
Giardia lamblia GTOR 0.0054 0.251 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0489 0.0408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.251 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0489 0.1829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.251 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0834 0.1919
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2676 1
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0489 0.1829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0396 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.1463 0.5829
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0489 0.0408
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0489 0.0408
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.251 0.9272
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.1862 0.6429
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.0651 0.1116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0183 0.0729
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0489 0.0408
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0396 0.0283
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.251 0.9272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0396 0.1579
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7814 1
Treponema pallidum NADH oxidase 0.002 0.0489 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0489 0.0408
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2676 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.1862 0.6429
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.251 0.9272
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1695 0.6753
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0489 0.195
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1047 0.4171
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0489 0.0408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1047 0.4171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1211 0.4826
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.251 0.9272
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0489 0.0408
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0489 0.5
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0489 0.0097
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.251 0.3227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.123 0.4901
Leishmania major trypanothione reductase 0.0057 0.2676 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0396 0.1579
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.6962 0.8837
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.251 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7814 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.251 0.9272
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0489 0.0408
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0489 0.0408
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0489 0.0408
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.6962 0.8837
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.251 0.3065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0396 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.1859 0.7408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.1394 0.5555
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1695 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1047 0.4171

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 3.9811 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) 5.2119 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] 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.

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