Detailed information for compound 1242125

Basic information

Technical information
  • TDR Targets ID: 1242125
  • Name: 1-(1-ethylpiperidin-4-yl)-3-(3-fluoro-4-methy lphenyl)-1-[(4-fluorophenyl)methyl]urea
  • MW: 387.466 | Formula: C22H27F2N3O
  • H donors: 1 H acceptors: 1 LogP: 4.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCC(CC1)N(C(=O)Nc1ccc(c(c1)F)C)Cc1ccc(cc1)F
  • InChi: 1S/C22H27F2N3O/c1-3-26-12-10-20(11-13-26)27(15-17-5-7-18(23)8-6-17)22(28)25-19-9-4-16(2)21(24)14-19/h4-9,14,20H,3,10-13,15H2,1-2H3,(H,25,28)
  • InChiKey: APBOSTQHOFDGRA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1-ethyl-4-piperidyl)-3-(3-fluoro-4-methyl-phenyl)-1-[(4-fluorophenyl)methyl]urea
  • 1-(1-ethyl-4-piperidinyl)-3-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]urea
  • 1-(1-ethyl-4-piperidyl)-1-(4-fluorobenzyl)-3-(3-fluoro-4-methyl-phenyl)urea
  • 1-(1-ethylpiperidin-4-yl)-3-(3-fluoro-4-methyl-phenyl)-1-[(4-fluorophenyl)methyl]urea
  • E641-3697
  • NCGC00123930-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 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
Giardia lamblia GTOR 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
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
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
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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein 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
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 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
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 donovani Phosphatidylinositol 3-kinase tor2 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
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
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative 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
Trichomonas vaginalis PIKK family atypical protein kinase 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
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
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
Leishmania infantum target of rapamycin (TOR) kinase 1, putative 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
Trichomonas vaginalis PIKK family atypical protein kinase 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
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 Phosphatidylinositol 3-kinase tor1 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
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
Leishmania mexicana phosphatidylinositol 3 kinase, 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
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), 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
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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
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 cruzi Phosphatidylinositol 3-kinase tor2 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
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis PIKK family atypical protein kinase 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
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
Leishmania major target of rapamycin (TOR) kinase 2, 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
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
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
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
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi FAD binding domain containing protein 0.0535 0.6073 0.5919
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0117 0.0038
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0376 0.0376
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.008 0.0001
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0866 1 1
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0098 0.09 0.0671
Entamoeba histolytica type A flavoprotein, putative 0.0331 0.366 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0211 0.0133
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0098 0.09 0.0671
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0331 0.366 0.3609
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.09
Mycobacterium tuberculosis Possible oxygenase 0.0098 0.09 0.5
Trypanosoma cruzi oxidoreductase-protein, putative 0.0098 0.09 0.0671
Trypanosoma brucei NADH-cytochrome b5 reductase-like protein 0.0098 0.09 0.09
Plasmodium vivax hypothetical protein, conserved 0.0331 0.366 0.3033
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0098 0.09 0.0544
Leishmania major cytochrome-b5 reductase, putative 0.0098 0.09 0.0671
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0866 1 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0331 0.366 0.3609
Brugia malayi FAD binding domain containing protein 0.0866 1 1
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0098 0.09 0.0544
Entamoeba histolytica type A flavoprotein, putative 0.0331 0.366 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0211 0.0133
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0376 0.0134
Toxoplasma gondii flavodoxin domain-containing protein 0.043 0.4827 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.0671
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0098 0.09 0.0671
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0098 0.09 0.09
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0113 0.0034
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0331 0.366 0.3033
Loa Loa (eye worm) flavodoxin family protein 0.0331 0.366 0.3412
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.0671
Loa Loa (eye worm) hypothetical protein 0.006 0.0441 0.0067
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0098 0.09 0.0671
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0098 0.09 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0211 0.0133
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0245 0.0166
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.0098 0.09 0.1492
Trypanosoma brucei nitrate reductase, putative 0.0098 0.09 0.09
Trypanosoma brucei oxidoreductase-protein, putative 0.0098 0.09 0.09
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0211 0.0133
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0211 0.0133
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.09
Entamoeba histolytica type A flavoprotein, putative 0.0331 0.366 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0245 0.0166
Plasmodium falciparum nitric oxide synthase, putative 0.0866 1 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.0671
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0866 1 1
Echinococcus multilocularis cytochrome b5 reductase 4 0.0098 0.09 0.0544
Leishmania major cytochrome-b5 reductase, putative 0.0098 0.09 0.0671
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0331 0.366 0.3501
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0866 1 1
Leishmania major p450 reductase, putative 0.0866 1 1
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0331 0.366 0.366
Trichomonas vaginalis sulfite reductase, putative 0.0866 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.015 0.0071
Leishmania major nitrate reductase, putative 0.0098 0.09 0.0671
Entamoeba histolytica type A flavoprotein, putative 0.0331 0.366 1
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0098 0.09 0.0671
Loa Loa (eye worm) diaphorase 0.0098 0.09 0.0544
Leishmania major reductase, putative 0.0098 0.09 0.0671
Loa Loa (eye worm) hypothetical protein 0.0866 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.008 0.0001
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0245 0.0245
Trypanosoma cruzi p450 reductase, putative 0.0866 1 1
Echinococcus granulosus cytochrome b5 reductase 4 0.0098 0.09 0.0544
Giardia lamblia Flavohemoprotein lateral transfer candidate 0.0098 0.09 0.0619
Echinococcus multilocularis tumor protein p63 0.0408 0.4572 0.436
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0866 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0098 0.09 0.5
Giardia lamblia Hypothetical protein 0.0767 0.8833 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0767 0.8833 0.8823
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0331 0.366 0.3609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0117 0.0038
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0331 0.366 0.3609
Schistosoma mansoni cytochrome B5 0.0098 0.09 0.0544
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0098 0.09 0.0671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0164 0.0085
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0098 0.09 0.0544
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0245 0.0166
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0282 0.0204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0245 0.0166
Onchocerca volvulus 0.0098 0.09 1
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.09
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.09
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0098 0.09 0.0544
Echinococcus granulosus cytochrome b5 reductase 4 0.0098 0.09 0.0544
Giardia lamblia Nitric oxide synthase, inducible 0.0767 0.8833 1
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0098 0.09 0.0671
Leishmania major NADH-dependent fumarate reductase-like protein 0.0098 0.09 0.0671
Schistosoma mansoni NADPH flavin oxidoreductase 0.0436 0.4905 0.4706
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0376 0.0299
Leishmania major oxidoreductase-like protein 0.0098 0.09 0.0671
Entamoeba histolytica type A flavoprotein, putative 0.0331 0.366 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.0671
Leishmania major NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.0671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0245 0.0166
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.0671
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0866 1 1
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0441 0.0067
Schistosoma mansoni diflavin oxidoreductase 0.043 0.4827 0.4625
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0866 1 1
Echinococcus granulosus tumor protein p63 0.0408 0.4572 0.436
Loa Loa (eye worm) FAD binding domain-containing protein 0.0535 0.6073 0.5919
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0376 0.0299
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.008 0.0001
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0098 0.09 0.0671
Leishmania major NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.0671
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0866 1 1
Trypanosoma cruzi p450 reductase, putative 0.0098 0.09 0.0671
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.0098 0.09 0.1492
Brugia malayi diaphorase 0.0098 0.09 0.0544
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0113 0.0034
Echinococcus multilocularis methionine synthase reductase 0.0535 0.6073 0.5919
Plasmodium vivax flavodoxin domain containing protein 0.0767 0.8833 0.8717
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0037 0.0037
Leishmania major cytochrome P450 reductase, putative 0.0767 0.8833 0.8803
Schistosoma mansoni cytochrome P450 reductase 0.0866 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0535 0.6073 0.5919
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0098 0.09 0.5
Trypanosoma cruzi reductase, putative 0.0098 0.09 0.0671
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0866 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0117 0.0038
Leishmania major hypothetical protein, conserved 0.0331 0.366 0.3501
Treponema pallidum flavodoxin 0.0331 0.366 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0211 0.0133
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0866 1 1
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0098 0.09 0.09
Trypanosoma brucei NADH-dependent fumarate reductase 0.0098 0.09 0.09
Brugia malayi flavodoxin family protein 0.0331 0.366 0.3412
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0866 1 1
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0331 0.366 0.3033
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.0671
Trypanosoma cruzi nitrate reductase, putative 0.0098 0.09 0.0671
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0866 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0376 0.0299
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0098 0.09 0.0544
Leishmania major NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.0671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.008 0.0001
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0098 0.09 0.0671
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0376 0.0134
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0866 1 1
Chlamydia trachomatis sulfite reductase 0.0535 0.6073 1
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0331 0.366 0.3501
Loa Loa (eye worm) FAD binding domain-containing protein 0.0866 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0866 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.043 0.4827 1
Trypanosoma brucei NADH-dependent fumarate reductase 0.0098 0.09 0.09
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.09
Mycobacterium tuberculosis Probable monooxygenase 0.0098 0.09 0.5
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0098 0.09 0.09
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0376 0.0134
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0331 0.366 0.3501
Leishmania major NADH-dependent fumarate reductase, putative 0.0098 0.09 0.0671
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0211 0.0133
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0376 0.0376
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0376 0.0134
Echinococcus granulosus methionine synthase reductase 0.0535 0.6073 0.5919

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0316 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 14.6892 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) 16.4816 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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