Detailed information for compound 1768754

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.458 | Formula: C20H25N7O2
  • H donors: 2 H acceptors: 4 LogP: 1.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)Nc1ccc(cc1)c1nc(N2CCOC[C@@H]2C)c2c(n1)ncn2C
  • InChi: 1S/C20H25N7O2/c1-4-21-20(28)23-15-7-5-14(6-8-15)17-24-18-16(26(3)12-22-18)19(25-17)27-9-10-29-11-13(27)2/h5-8,12-13H,4,9-11H2,1-3H3,(H2,21,23,28)/t13-/m0/s1
  • InChiKey: VNORXAXGKIUEIT-ZDUSSCGKSA-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 phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha Starlite/ChEMBL References
Homo sapiens phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit delta 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
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase 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
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
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
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
Giardia lamblia GTOR 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
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
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania major target of rapamycin (TOR) kinase 1, 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
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
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) hypothetical protein 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 phosphatidylinositol kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
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 cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania mexicana phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania donovani Phosphatidylinositol 3-kinase tor2 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
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K Get druggable targets OG5_127444 All targets in OG5_127444
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
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
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 phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 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
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
Leishmania infantum phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, 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
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
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 mexicana phosphatidylinositol 3 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
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
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
Leishmania donovani phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus multilocularis FKBP12 rapamycin complex associated 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
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma japonicum ko:K07203 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_127444 All targets in OG5_127444
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
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative Get druggable targets OG5_127444 All targets in OG5_127444
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 brucei phosphatidylinositol 4-kinase, 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
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K00922 phosphatidylinositol-4,5-bisphosphate 3-kinase [EC2.7.1.153], putative Get druggable targets OG5_127444 All targets in OG5_127444
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
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica phosphatidylinositol 3-kinase, putative phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha 1068 aa 927 aa 29.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi aspartic protease BmAsp-1, identical 0.028 0.0684 0.0921
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0577 0.1508 0.4039
Plasmodium vivax aspartyl protease, putative 0.028 0.0684 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0006 0.0081
Brugia malayi hypothetical protein 0.028 0.0684 0.0921
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.028 0.0684 0.0684
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.023 0.0543 0.9489
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0318 0.0788 0.211
Plasmodium vivax plasmepsin IV, putative 0.028 0.0684 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0083 0.0134 0.0134
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0577 0.1508 0.2031
Plasmodium vivax aspartyl protease, putative 0.028 0.0684 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0367 0.0924 0.1244
Loa Loa (eye worm) hypothetical protein 0.028 0.0684 0.0921
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.028 0.0684 0.0684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0006 0.0081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0006 0.0081
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0061 0.0075 0.131
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.024 0.0572 0.8359
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0061 0.0075 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0005 0.0079
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0083 0.0134 0.1963
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0061 0.0075 0.0201
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.024 0.0572 0.1532
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0318 0.0788 0.1061
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0061 0.0075 0.0201
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.028 0.0684 0.0684
Giardia lamblia GTOR 0.0061 0.0075 0.0418
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0036 0.053
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0318 0.0788 0.1061
Trypanosoma cruzi hypothetical protein, conserved 0.0318 0.0788 0.211
Brugia malayi hypothetical protein 0.028 0.0684 0.0921
Entamoeba histolytica hypothetical protein 0.0192 0.0438 0.7652
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0157 0.034 0.0458
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.005 0.0044 0.0118
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0083 0.0134 0.1963
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0577 0.1508 0.4039
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.024 0.0572 0.8359
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0577 0.1508 0.2031
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0083 0.0134 0.2348
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0005 0.0079
Plasmodium vivax plasmepsin V, putative 0.028 0.0684 1
Echinococcus granulosus choline O acetyltransferase 0.0318 0.0788 0.211
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0036 0.053
Plasmodium falciparum plasmepsin X 0.028 0.0684 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0208 0.0484 0.0651
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0061 0.0075 0.0497
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.024 0.0572 0.077
Echinococcus multilocularis choline O acetyltransferase 0.0318 0.0788 0.211
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0061 0.0075 0.131
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.028 0.0684 0.0684
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0318 0.0788 0.5223
Plasmodium vivax aspartyl proteinase, putative 0.028 0.0684 1
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0318 0.0788 0.211
Toxoplasma gondii aspartyl protease ASP1 0.028 0.0684 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.1377 0.3734 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0448 0.1151 0.3083
Plasmodium vivax aspartyl proteinase, putative 0.028 0.0684 1
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0318 0.0788 0.5223
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0006 0.0081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0075 0.1095
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.028 0.0684 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0036 0.053
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0061 0.0075 0.0201
Brugia malayi Pepsin A precursor 0.028 0.0684 0.0921
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.024 0.0572 0.8359
Loa Loa (eye worm) choline O-acetyltransferase 0.0318 0.0788 0.1061
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.028 0.0684 0.1832
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0061 0.0075 0.0101
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0061 0.0075 0.0201
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0083 0.0134 0.1963
Loa Loa (eye worm) aspartic protease BmAsp-1 0.028 0.0684 0.0921
Loa Loa (eye worm) hypothetical protein 0.028 0.0684 0.0921
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.024 0.0572 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0061 0.0075 0.0497
Toxoplasma gondii aspartyl protease 0.028 0.0684 1
Loa Loa (eye worm) hypothetical protein 0.0318 0.0788 0.1061
Trypanosoma cruzi target of rapamycin kinase 3 0.005 0.0044 0.0118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0013 0.0195
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0192 0.0438 0.7652
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0318 0.0788 0.5223
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0448 0.1151 0.1151
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0075 0.1095
Onchocerca volvulus 0.0318 0.0788 0.4321
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0014 0.0208
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.024 0.0572 0.1532
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0075 0.1095
Trypanosoma cruzi hypothetical protein, conserved 0.0318 0.0788 0.211
Loa Loa (eye worm) aspartyl protease 6 0.028 0.0684 0.0921
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0014 0.0208
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0118 0.0232 1
Plasmodium falciparum plasmepsin II 0.028 0.0684 1
Brugia malayi Choline O-acetyltransferase 0.0318 0.0788 0.1061
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0108 0.0206 0.3601
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0044 0.0644
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.028 0.0684 0.0684
Loa Loa (eye worm) hypothetical protein 0.028 0.0684 0.0921
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0134 0.0181
Trypanosoma cruzi hypothetical protein, conserved 0.0318 0.0788 0.211
Plasmodium falciparum plasmepsin VI 0.028 0.0684 1
Plasmodium falciparum plasmepsin VII 0.028 0.0684 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0166 0.0366 0.5349
Plasmodium falciparum plasmepsin I 0.028 0.0684 1
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0318 0.0788 0.211
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0013 0.0195
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0166 0.0366 0.5349
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0044 0.0644
Loa Loa (eye worm) hypothetical protein 0.2705 0.7426 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.028 0.0684 0.0684
Brugia malayi Choline O-acetyltransferase 0.0318 0.0788 0.1061
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0061 0.0075 0.0201
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0367 0.0924 0.1244
Schistosoma mansoni serine/threonine protein kinase 0.0367 0.0924 0.0924
Onchocerca volvulus 0.0318 0.0788 0.4321
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.028 0.0684 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.028 0.0684 0.0684
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0318 0.0788 0.211
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0025 0.0369
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.0053 0.0773
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0367 0.0924 0.2474
Trypanosoma brucei hypothetical protein, conserved 0.0318 0.0788 0.5223
Loa Loa (eye worm) aspartic protease BmAsp-2 0.028 0.0684 0.0921
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0367 0.0924 0.1244
Plasmodium falciparum plasmepsin VIII, putative 0.028 0.0684 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0083 0.0134 0.2348
Schistosoma mansoni cathepsin D (A01 family) 0.028 0.0684 0.0684
Plasmodium falciparum plasmepsin IX 0.028 0.0684 1
Plasmodium falciparum plasmepsin III 0.028 0.0684 1
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.1377 0.3734 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0072 0.0105 0.0142
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0083 0.0134 0.089
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0005 0.0079
Loa Loa (eye worm) phosphatidylinositol 3 0.0061 0.0075 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0044 0.0644
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0014 0.0208
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0157 0.034 0.0911
Loa Loa (eye worm) hypothetical protein 0.0083 0.0136 0.0184
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0367 0.0924 1
Trypanosoma cruzi hypothetical protein, conserved 0.0318 0.0788 0.211
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0036 0.053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0036 0.053
Plasmodium vivax aspartyl protease, putative 0.028 0.0684 1
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0577 0.1508 0.4039
Onchocerca volvulus 0.0318 0.0788 0.4321
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0061 0.0075 0.0201
Loa Loa (eye worm) phosphatidylinositol 3 0.04 0.1017 0.1369
Toxoplasma gondii target of rapamycin (TOR), putative 0.0047 0.0036 0.053
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0044 0.0644
Brugia malayi Eukaryotic aspartyl protease family protein 0.028 0.0684 0.0921
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0367 0.0924 0.2474
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.028 0.0684 0.1832
Trypanosoma cruzi hypothetical protein, conserved 0.0318 0.0788 0.211
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0083 0.0134 0.036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0022 0.0322
Onchocerca volvulus 0.0318 0.0788 0.4321
Plasmodium falciparum plasmepsin IV 0.028 0.0684 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.028 0.0684 0.0684
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0044 0.0644
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0318 0.0788 0.211
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1377 0.3734 1
Schistosoma mansoni choline o-acyltransferase 0.0318 0.0788 0.0788
Brugia malayi Protein kinase domain containing protein 0.0367 0.0924 0.1244
Brugia malayi aspartic protease BmAsp-2, identical 0.028 0.0684 0.0921
Plasmodium falciparum plasmepsin V 0.028 0.0684 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1377 0.3734 1
Schistosoma mansoni choline o-acyltransferase 0.0318 0.0788 0.0788
Leishmania major carnitine/choline acetyltransferase, putative 0.0318 0.0788 0.211
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.028 0.0684 1
Schistosoma mansoni cathepsin D (A01 family) 0.028 0.0684 0.0684
Leishmania major carnitine palmitoyltransferase-like protein 0.0577 0.1508 0.4039
Toxoplasma gondii aspartyl protease ASP3 0.028 0.0684 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0072 0.0105 0.0281
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0157 0.034 0.0911
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0036 0.053
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0448 0.1151 0.3083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0036 0.053
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.1377 0.3734 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.028 0.0684 0.0684
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0577 0.1508 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.2705 0.7426 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.034 0.0458
Trypanosoma brucei target of rapamycin kinase 3, putative 0.005 0.0044 0.0293

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 290 nM Antiproliferative activity against PTEN deficient human PC3 cells assessed as cell viability after 3 days by CellTiter-Glo assay ChEMBL. 23932790
IC50 (binding) = 630 nM Inhibition of mTOR in PTEN deficient human PC3 cells assessed as inhibition of Akt phosphorylation at Ser473 ChEMBL. 23932790
IC50 (binding) = 2200 nM Inhibition of mTOR in PTEN deficient human PC3 cells assessed as inhibition of p70S6K phosphorylation ChEMBL. 23932790
Ki (binding) = 30 nM Inhibition of human recombinant mTOR (1360-2549) expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 after 30 mins by LanthaScreen FRET assay ChEMBL. 23932790
Ki (binding) > 10000 nM Displacement of TAMRA-PIP3 from PI3Kdelta GRP-1 pleckstrin homology domain (unknown origin) assessed as formation of 3,4,5-inositoltriphosphate after 30 mins by fluorescence polarization assay ChEMBL. 23932790
Ki (binding) > 10000 nM Displacement of TAMRA-PIP3 from PI3Kalpha GRP-1 pleckstrin homology domain (unknown origin) assessed as formation of 3,4,5-inositoltriphosphate after 30 mins by fluorescence polarization assay ChEMBL. 23932790

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23932790

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.

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