Detailed information for compound 1421552

Basic information

Technical information
  • TDR Targets ID: 1421552
  • Name: 1-[2-(4-methoxyphenyl)-4-(4-methylphenyl)sulf onyl-1,3-oxazol-5-yl]piperidine
  • MW: 412.502 | Formula: C22H24N2O4S
  • H donors: 0 H acceptors: 3 LogP: 4.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1oc(c(n1)S(=O)(=O)c1ccc(cc1)C)N1CCCCC1
  • InChi: 1S/C22H24N2O4S/c1-16-6-12-19(13-7-16)29(25,26)21-22(24-14-4-3-5-15-24)28-20(23-21)17-8-10-18(27-2)11-9-17/h6-13H,3-5,14-15H2,1-2H3
  • InChiKey: MFYICHLFVIPZGF-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 1-[2-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-oxazol-5-yl]piperidine
  • 1-[2-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-5-oxazolyl]piperidine
  • Oprea1_119405
  • NCGC00100844-01
  • EU-0082783

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase 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
Plasmodium vivax thioredoxin 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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 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
Leishmania mexicana phosphatidylinositol 3 kinase, putative 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
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
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
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense 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
Loa Loa (eye worm) thioredoxin reductase 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
Leishmania major 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum target of rapamycin (TOR) kinase 2, putative 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
Trypanosoma brucei 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 mexicana trypanothione 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani Phosphatidylinositol 3-kinase tor2 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
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 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
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 Phosphatidylinositol 3-kinase tor2, related 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
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, 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
Brugia malayi 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
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 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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 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
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
Echinococcus granulosus thioredoxin glutathione reductase 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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 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 japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium knowlesi thioredoxin reductase, putative 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
Trichomonas vaginalis PIKK family atypical protein kinase 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
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 major target of rapamycin (TOR) kinase 1, 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
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi glutathione 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
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
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
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 trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione 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
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
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
Plasmodium falciparum 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Cryptosporidium hominis thioredoxin 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
Leishmania infantum target of rapamycin (TOR) kinase 1, putative 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
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 trypanothione 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
Leishmania braziliensis trypanothione 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
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 cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
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 %
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 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
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 %
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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
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 %
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 brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
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 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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 22.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
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 %
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 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0561 0.2059
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.7815 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.6972 0.8837
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0575 0.2095
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0036 0.0561 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0714 0.0827
Giardia lamblia GTOR 0.0054 0.1163 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0714 0.0827
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0561 0.2059
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0561 0.2059
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0561 0.2059
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.6972 0.8837
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2727 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0575 0.2095
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0241 0.0883
Plasmodium falciparum thioredoxin reductase 0.0103 0.2727 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0549 0.0636
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.1163 0.1347
Leishmania major trypanothione reductase 0.0103 0.2727 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0358 0.0415
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.1163 0.4264
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.0257 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0805 0.0932
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0714 0.0827
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0561 0.2059
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0714 0.0827
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0561 0.2059
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0561 0.2059
Trypanosoma brucei trypanothione reductase 0.0103 0.2727 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2746 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.1163 0.4264
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.1163 0.1163
Mycobacterium tuberculosis Probable reductase 0.0234 0.6972 0.8837
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.1163 0.5
Brugia malayi glutathione reductase 0.0103 0.2727 0.3628
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.7815 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0459 0.0531
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0561 0.2059
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.1163 0.4234
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0587 0.068
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2727 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0575 0.0575
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2746 1
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0561 0.065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0448 0.0519
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0575 0.0064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0907 0.105
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0561 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0561 0.2059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0805 0.0932
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0036 0.0561 0.5
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0561 0.2059
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.7815 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.0806 0.2957
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0806 0.2957
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0714 0.0827
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8635 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.6972 0.8837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0036 0.0561 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.7516 1
Plasmodium vivax glutathione reductase, putative 0.0103 0.2727 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0561 0.2059
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.6972 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2727 0.2985
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2727 0.3628
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.0806 0.2957
Plasmodium falciparum glutathione reductase 0.0103 0.2727 1
Brugia malayi Thioredoxin reductase 0.0103 0.2727 0.3628
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0805 0.0932
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.1163 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0714 0.0827
Onchocerca volvulus 0.0286 0.8635 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0357 0.0413
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.014 0.0513
Treponema pallidum NADH oxidase 0.0036 0.0561 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0575 0.0575
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0561 0.5
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.1163 0.4234
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0459 0.0531
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0533 0.1939
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0805 0.0932
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.1163 0.1347
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0561 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0357 0.0413
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0714 0.0707
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0575 0.0575
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0358 0.0415
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0561 0.065
Toxoplasma gondii thioredoxin reductase 0.0103 0.2727 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.0561 0.2059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0448 0.0519
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.0257 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0358 0.0415
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.1163 0.1347
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0561 0.2044
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.1163 0.1547
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0561 0.2059
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0575 0.2095
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0714 0.0827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0805 0.0932
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0357 0.0413
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7516 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0459 0.0531
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0561 0.2059
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.1163 0.1547
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.1163 0.4264
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.7815 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.6972 0.8837
Plasmodium vivax SET domain protein, putative 0.0036 0.0575 0.0064
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.1163 0.4264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0358 0.0415
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0561 0.0747
Brugia malayi Pre-SET motif family protein 0.0036 0.0575 0.0766
Loa Loa (eye worm) glutathione reductase 0.0103 0.2727 0.3628
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0561 0.2059
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.1163 0.4264
Loa Loa (eye worm) hypothetical protein 0.0036 0.0575 0.0766
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0561 0.0561
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0561 0.2059
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0575 0.0575
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.1163 0.4264
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0561 0.2044
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.0561 0.2059

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 13.0918 uM PUBCHEM_BIOASSAY: IN Cell 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, AID493208] ChEMBL. No reference
Potency (functional) 19.9526 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 (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 26.1216 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
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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