Detailed information for compound 1936768

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.471 | Formula: C21H27N5O3
  • H donors: 2 H acceptors: 5 LogP: 0.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CN(CCC2CCOCC2)c2c(N1)ncc(n2)c1ccc(nc1)C(O)(C)C
  • InChi: 1S/C21H27N5O3/c1-21(2,28)17-4-3-15(11-22-17)16-12-23-19-20(24-16)26(13-18(27)25-19)8-5-14-6-9-29-10-7-14/h3-4,11-12,14,28H,5-10,13H2,1-2H3,(H,23,25,27)
  • InChiKey: UVDSVTKKZYTBOB-UHFFFAOYSA-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 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
Trypanosoma brucei gambiense peptidylprolyl isomerase-like 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 donovani Phosphatidylinositol 3-kinase tor1 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
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
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) 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
Schistosoma mansoni immunophilin Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania major peptidylprolyl isomerase-like 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 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
Leishmania major 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium yoelii FK506-binding protein 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
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative 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
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl 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
Loa Loa (eye worm) hypothetical protein 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
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
Schistosoma japonicum FK506-binding protein 1A, 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 infantum peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania braziliensis fk506-binding protein 1-like protein 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 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
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
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
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 peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium berghei peptidyl-prolyl cis-trans isomerase FKBP35, putative Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126727 All targets in OG5_126727
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
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 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
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 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
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase, putative 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
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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 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
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) FKBP5 protein Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 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
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 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
Neospora caninum Phosphatidylinositol 3-kinase tor2, related 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
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), 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
Giardia lamblia GTOR 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
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
Echinococcus multilocularis fk506 binding protein Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania braziliensis peptidylprolyl isomerase-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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K09571 FK506-binding protein 4/5, 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
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana fk506-binding protein 1-like protein 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma 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
Plasmodium knowlesi peptidyl-prolyl cis-trans isomerase FKBP35, putative Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) phosphatidylinositol 3 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
Trypanosoma congolense FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 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
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 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
Leishmania major target of rapamycin (TOR) kinase 2, putative 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
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 Phosphatidylinositol 3-kinase tor2 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 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
Trichomonas vaginalis fk506-binding protein, putative Get druggable targets OG5_126727 All targets in OG5_126727
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Peptidylprolyl isomerase D (Cyclophilin D), related 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
Trichomonas vaginalis PIKK family atypical protein kinase 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
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 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 mansoni immunophilin Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma japonicum ko:K09568 FK506-binding protein 1, putative 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
Leishmania major target of rapamycin (TOR) kinase 1, putative 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
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
Candida albicans hypothetical protein Get druggable targets OG5_126727 All targets in OG5_126727
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) FKBP5 protein 0.0065 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.785 0.7683
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5101 0.5101
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.5664 0.5327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0719 0.0719
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5101 0.5101
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.1578 0.0925
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.2195 0.159
Leishmania major peptidylprolyl isomerase-like protein 0.0065 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0065 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0056 0.8228 0.809
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.785 0.7683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.785 0.785
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0065 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0065 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3532 0.3532
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0065 1 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0065 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3532 0.3532
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2914 0.2914
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5101 0.5101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.785 0.785
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.5664 0.5327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3532 0.3532
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0065 1 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0065 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0719 0.0719
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0065 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.785 0.7683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2906 0.2906
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0719 0.0719
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.6281 0.6281
Schistosoma mansoni immunophilin 0.0065 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.5655 0.5655
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.5655 0.5655
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5101 0.5101
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0065 1 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0065 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2914 0.2914
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0065 1 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0065 1 0.5
Trichomonas vaginalis immunophilin, putative 0.0065 1 1
Echinococcus multilocularis fk506 binding protein 0.0065 1 1
Leishmania major fk506-binding protein 1-like protein 0.0065 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.5655 0.5655
Loa Loa (eye worm) hypothetical protein 0.0056 0.8228 0.809
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2914 0.2914
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0065 1 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0065 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.4318 0.4318
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.785 0.7683
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5101 0.5101
Trichomonas vaginalis fk506-binding protein, putative 0.0065 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2906 0.2906
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.785 0.7683
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0056 0.8228 0.809
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0065 1 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.5664 0.5327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.5655 0.5655
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.785 0.7683
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0065 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0719 0.0719
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.785 0.785
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.785 0.7683
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.785 0.7683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2906 0.2906
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.785 0.7683
Schistosoma mansoni immunophilin 0.0065 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0065 1 1
Schistosoma mansoni immunophilin 0.0056 0.8228 0.809
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.5101 0.5
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.785 0.7683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0719 0.0719
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2914 0.2914
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.785 0.7683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.4086 0.4086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3468 0.3468
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5101 0.5101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3468 0.3468
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.5101 0.5101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.5655 0.5655
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0065 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0065 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 72 % Antitumor activity against human PC3 cells xenografted in mouse assessed as tumor volume reduction at 100 mg/kg, po bid with 10 hrs separation between morning and evening doses for 21 days relative to control ChEMBL. 26083478
IC50 (binding) Inhibition of PI3K-alpha (unknown origin) by mobility shift assay ChEMBL. 26083478
IC50 (binding) = 0.103 uM Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay ChEMBL. 26083478
IC50 (binding) = 0.24 uM Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr ChEMBL. 26083478
Inhibition (functional) = 63 % In vivo inhibition of mTORC1 in human PC3 cells xenografted in mouse assessed as inhibition of Akt phosphorylation at S473 at 100 mg/kg, po measured after 4 hrs relative to control ChEMBL. 26083478

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.