Detailed information for compound 1729494

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 500.614 | Formula: C24H32N6O4S
  • H donors: 2 H acceptors: 5 LogP: 1.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCNC(=O)Nc1ccc(cc1)c1nc2C[C@@H]3CC[C@H](c2c(n1)N1CCOC[C@@H]1C)N3S(=O)(=O)C
  • InChi: 1S/C24H32N6O4S/c1-4-25-24(31)26-17-7-5-16(6-8-17)22-27-19-13-18-9-10-20(30(18)35(3,32)33)21(19)23(28-22)29-11-12-34-14-15(29)2/h5-8,15,18,20H,4,9-14H2,1-3H3,(H2,25,26,31)/t15-,18-,20+/m0/s1
  • InChiKey: NDQIDSZBEUKRAW-ZAAXVRCTSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens FK506 binding protein 1A, 12kDa Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL References
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania mexicana peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma mansoni immunophilin Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania infantum target of rapamycin (TOR) kinase 2, putative 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
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A Get druggable targets OG5_126727 All targets in OG5_126727
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 one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium berghei peptidyl-prolyl cis-trans isomerase FKBP35, putative Get druggable targets OG5_126727 All targets in OG5_126727
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
Plasmodium knowlesi peptidyl-prolyl cis-trans isomerase FKBP35, putative Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma japonicum ko:K09571 FK506-binding protein 4/5, putative Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania donovani Phosphatidylinositol 3-kinase tor1 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania donovani peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma mansoni immunophilin Get druggable targets OG5_126727 All targets in OG5_126727
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans hypothetical protein Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 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
Leishmania infantum peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
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 FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
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
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Plasmodium yoelii FK506-binding protein Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_126727 All targets in OG5_126727
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
Leishmania major target of rapamycin (TOR) kinase 2, putative 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
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus multilocularis fk506 binding protein Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
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
Neospora caninum Phosphatidylinositol 3-kinase tor2, related 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
Candida albicans one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania major fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis immunophilin, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis PIKK family atypical protein kinase 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
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative Get druggable targets OG5_126727 All targets in OG5_126727
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K09568 FK506-binding protein 1, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FK506-binding protein 1A, putative Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense peptidylprolyl isomerase-like protein, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
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
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis fk506-binding protein, putative Get druggable targets OG5_126727 All targets in OG5_126727
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) FKBP5 protein Get druggable targets OG5_126727 All targets in OG5_126727
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma mansoni immunophilin Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
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 tor1 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 peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum Peptidylprolyl isomerase D (Cyclophilin D), related Get druggable targets OG5_126727 All targets in OG5_126727
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
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative FK506 binding protein 1A, 12kDa 108 aa 107 aa 48.6 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.3302 0.7683
Leishmania major peptidylprolyl isomerase-like protein 0.0065 0.4297 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0018 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0029
Schistosoma mansoni metabotropic glutamate receptor 0.0018 0.0012 0.0029
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0065 0.4297 1
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0036 0.1608 0.1608
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0018 0.0012 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.3302 0.7683
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.3302 0.3302
Brugia malayi Glutamate receptor 1 precursor 0.0036 0.1608 0.3742
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0054 0.3286 0.3286
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.2575 0.5993
Schistosoma mansoni glutamate receptor kainate 0.0036 0.1608 0.3742
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2029 0.4721
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0036 0.1608 0.1608
Schistosoma mansoni ATP-binding cassette transporter 0.0036 0.1608 0.3742
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.3302 0.7677
Chlamydia trachomatis glutamine binding protein 0.0092 0.6726 0.5
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0065 0.4297 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 0.4297 1
Brugia malayi Glutamate receptor 2 precursor 0.0036 0.1608 0.3742
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2029 0.4721
Echinococcus granulosus metabotropic glutamate receptor 5 0.0018 0.0012 0.0012
Schistosoma mansoni glutamate receptor NMDA 0.0054 0.3286 0.7648
Echinococcus multilocularis nmda type glutamate receptor 0.0018 0.0012 0.0012
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.3302 0.7683
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.3302 0.7683
Echinococcus granulosus glutamate receptor subunit protein glur 0.0036 0.1608 0.1608
Loa Loa (eye worm) glutamate receptor 2 0.0036 0.1608 0.3742
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0029
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0036 0.1608 0.1608
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2029 0.4721
Echinococcus granulosus glutamate receptor 2 0.0018 0.0012 0.0012
Echinococcus granulosus tyrosine kinase 0.0018 0.0012 0.0012
Schistosoma mansoni glutamate receptor AMPA 0.0036 0.1608 0.3742
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.0397 0.0925
Schistosoma mansoni glutamate receptor AMPA 0.0036 0.1608 0.3742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.3302 0.7683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1302 0.3031
Schistosoma mansoni tyrosine kinase 0.0018 0.0012 0.0029
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0018 0.0012 0.5
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0065 0.4297 0.5
Echinococcus multilocularis NMDA receptor 0.0036 0.1608 0.1608
Echinococcus granulosus receptor type guanylyl cyclase 0.0018 0.0012 0.0012
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.3302 0.7683
Schistosoma mansoni protein kinase 0.0018 0.0012 0.0029
Echinococcus granulosus glutamate receptor 2 0.0054 0.3286 0.3286
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2029 0.4721
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.1666 0.3877
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0018 0.0012 0.0029
Schistosoma mansoni immunophilin 0.0065 0.4297 1
Schistosoma mansoni immunophilin 0.0065 0.4297 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0065 0.4297 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.3302 0.3302
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0029
Loa Loa (eye worm) RGC/RGC protein kinase 0.0018 0.0012 0.0029
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0054 0.3286 0.3286
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0036 0.1608 0.1608
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0092 0.6726 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0054 0.3286 0.3286
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0018 0.0012 0.0029
Onchocerca volvulus 0.0018 0.0012 0.5
Loa Loa (eye worm) FKBP5 protein 0.0065 0.4297 1
Schistosoma mansoni glutamate receptor kainate 0.0036 0.1608 0.3742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1016 0.2365
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2029 0.4721
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0065 0.4297 0.4297
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0065 0.4297 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2285 0.5318
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2285 0.5318
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.3302 0.7683
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0056 0.3477 0.3477
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0065 0.4297 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0065 0.4297 1
Brugia malayi Receptor family ligand binding region containing protein 0.0018 0.0012 0.0029
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0054 0.3286 0.3286
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1012 0.2356
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.3302 0.7683
Schistosoma mansoni tyrosine kinase 0.0018 0.0012 0.0029
Echinococcus granulosus metabotropic glutamate receptor 2 0.0018 0.0012 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1016 0.2365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1273 0.2962
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.2289 0.5327
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.3302 0.7683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.3302 0.7683
Echinococcus granulosus atrial natriuretic peptide receptor 0.0018 0.0012 0.0012
Echinococcus multilocularis receptor type guanylyl cyclase 0.0018 0.0012 0.0012
Onchocerca volvulus 0.0018 0.0012 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0065 0.4297 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.0036 0.1608 0.1608
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0036 0.1608 0.1608
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2285 0.5318
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0065 0.4297 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1016 0.2365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1302 0.3031
Echinococcus multilocularis tyrosine kinase 0.0018 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1012 0.2356
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.3302 0.7677
Schistosoma mansoni glutamate receptor kainate 0.0036 0.1608 0.3742
Loa Loa (eye worm) hypothetical protein 0.0056 0.3477 0.809
Trichomonas vaginalis immunophilin, putative 0.0065 0.4297 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0092 0.6726 1
Echinococcus granulosus nmda type glutamate receptor 0.0018 0.0012 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1012 0.2356
Trichomonas vaginalis fk506-binding protein, putative 0.0065 0.4297 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0056 0.3477 0.3477
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0065 0.4297 1
Brugia malayi Guanylyl cyclase protein 23 0.0018 0.0012 0.0029
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0018 0.0012 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.1559 0.3628
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1016 0.2365
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1302 0.3031
Loa Loa (eye worm) glutamate receptor 1 0.0036 0.1608 0.3742
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0036 0.1608 0.1608
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0065 0.4297 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0018 0.0012 0.0029
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0029
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0065 0.4297 0.4297
Leishmania major fk506-binding protein 1-like protein 0.0065 0.4297 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2285 0.5318
Schistosoma mansoni hypothetical protein 0.0036 0.1608 0.3742
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0029
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 0.4297 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0065 0.4297 0.4297
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0029
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.3302 0.7683
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.3302 0.7683
Leishmania major extracellular receptor, putative 0.0018 0.0012 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2285 0.5318
Schistosoma mansoni glutamate receptor NMDA 0.0036 0.1608 0.3742
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0092 0.6726 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0065 0.4297 1
Brugia malayi hypothetical protein 0.0018 0.0012 0.0029
Loa Loa (eye worm) glutamate receptor 0.0018 0.0012 0.0029
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0065 0.4297 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0029
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0054 0.3286 0.3286
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0092 0.6726 1
Brugia malayi Receptor family ligand binding region containing protein 0.0018 0.0012 0.0029
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.2289 0.5327
Loa Loa (eye worm) RGC/RGC protein kinase 0.0018 0.0012 0.0029
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0018 0.0012 0.0029
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.2289 0.5327
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0054 0.3286 0.3286
Echinococcus multilocularis glutamate receptor 2 0.0036 0.1608 0.1608
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0036 0.1608 0.1608
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2029 0.4721
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1273 0.2962
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0054 0.3286 0.3286
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0065 0.4297 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0018 0.0012 0.0029
Trypanosoma cruzi extracellular receptor, putative 0.0018 0.0012 0.0029
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 0.4297 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0065 0.4297 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0092 0.6726 1
Schistosoma mansoni immunophilin 0.0056 0.3477 0.809
Schistosoma mansoni metabotropic glutamate receptor 0.0018 0.0012 0.0029
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0683 0.159
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0018 0.0012 0.0012
Echinococcus multilocularis glutamate receptor 2 0.0018 0.0012 0.0012
Echinococcus multilocularis fk506 binding protein 0.0065 0.4297 0.4297
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2029 0.4721
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0054 0.3286 0.3286
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.2029 0.5
Brugia malayi metabotropic glutamate receptor type 2 0.0018 0.0012 0.0029
Echinococcus multilocularis glutamate receptor 2 0.0054 0.3286 0.3286

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 260 nM Cytotoxicity against human PC3 cells after 4 days by CellTiter-Glo assay ChEMBL. 23473235
IC50 (binding) = 25 nM Inhibition of mTORC1 in human NCI-PC3 cells assessed as inhibition of p70S6K phosphorylation ChEMBL. 23473235
IC50 (ADMET) = 5 uM Time dependent inhibition of human CYP3A4 preincubated for 30 mins in presence of NADPH ChEMBL. 23473235
Ki (binding) = 2.6 nM Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by fluorescence resonance energy transfer assay ChEMBL. 23473235

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23473235

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

1 literature reference was collected for this gene.

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