Detailed information for compound 1768762

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.497 | Formula: C22H28N6O2
  • H donors: 2 H acceptors: 3 LogP: 2.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)Nc1ccc(cc1)c1nc2ccn(c2c(n1)N1CCOC[C@@H]1CC)C
  • InChi: 1S/C22H28N6O2/c1-4-17-14-30-13-12-28(17)21-19-18(10-11-27(19)3)25-20(26-21)15-6-8-16(9-7-15)24-22(29)23-5-2/h6-11,17H,4-5,12-14H2,1-3H3,(H2,23,24,29)/t17-/m0/s1
  • InChiKey: UQQNCUSOTQLDEE-KRWDZBQOSA-N  


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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 delta Starlite/ChEMBL References
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL References
Homo sapiens phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis phosphatidylinositol kinase, 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
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
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 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 phosphatidylinositol 3-kinase class, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania mexicana phosphatidylinositol 3 kinase, 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
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania donovani phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) 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
Trypanosoma brucei phosphatidylinositol 3-kinase tor, 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
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 FKBP-rapamycin associated protein (FRAP), putative 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
Trichomonas vaginalis PIKK family atypical protein kinase 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
Leishmania infantum target of rapamycin (TOR) kinase 2, 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
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
Toxoplasma gondii target of rapamycin (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
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative 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
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
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
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 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
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative 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
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) 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
Trichomonas vaginalis PIKK family atypical protein kinase 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
Leishmania major target of rapamycin (TOR) kinase 1, 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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 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
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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 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
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
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase, 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
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, 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 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
Leishmania mexicana 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
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
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 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
Leishmania infantum target of rapamycin (TOR) kinase 1, putative 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 donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative Get druggable targets OG5_127444 All targets in OG5_127444
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
Trypanosoma brucei target of rapamycin kinase 3, putative 0.005 0.0059 0.0606
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0022 0.0179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0012 0.0075
Brugia malayi Choline O-acetyltransferase 0.0159 0.0423 0.0838
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0302 0.0902 1
Trichomonas vaginalis conserved hypothetical protein 0.0302 0.0902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0049 0.0488
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0049 0.0488
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.024 0.0695 0.2901
Trypanosoma cruzi hypothetical protein, conserved 0.0159 0.0423 0.1758
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0743 0.2382 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0061 0.0096 0.0988
Trichomonas vaginalis conserved hypothetical protein 0.0302 0.0902 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0061 0.0096 0.038
Echinococcus granulosus voltage gated potassium channel 0.0302 0.0902 0.377
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0083 0.0167 0.1807
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0249 0.0725 0.3029
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0302 0.0902 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0061 0.0096 0.038
Trichomonas vaginalis conserved hypothetical protein 0.0302 0.0902 1
Trichomonas vaginalis adenylate cyclase type VI, putative 0.0302 0.0902 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.0416 0.041
Trichomonas vaginalis adenylate cyclase type III, putative 0.0302 0.0902 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0072 0.0132 0.0127
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0302 0.0902 0.377
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0096 0.1008
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0083 0.0167 0.1807
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0049 0.0488
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0059 0.0593
Trypanosoma cruzi hypothetical protein, conserved 0.0159 0.0423 0.1758
Trypanosoma brucei STE group serine/threonine-protein kinase, putative 0.0322 0.097 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0061 0.0096 0.009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0012 0.0073
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0166 0.0447 0.4924
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0743 0.2382 1
Trypanosoma cruzi hypothetical protein, conserved 0.0159 0.0423 0.1758
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0012 0.0075
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trypanosoma cruzi target of rapamycin kinase 3 0.005 0.0059 0.0224
Trichomonas vaginalis conserved hypothetical protein 0.0302 0.0902 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0302 0.0902 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0061 0.0096 0.131
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0302 0.0902 1
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0302 0.0902 0.1798
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0034 0.0006 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0249 0.0725 0.1444
Schistosoma mansoni voltage-gated potassium channel 0.0302 0.0902 0.6457
Trichomonas vaginalis guanylate cyclase beta 2 subunit, putative 0.0302 0.0902 1
Trichomonas vaginalis conserved hypothetical protein 0.0302 0.0902 1
Trichomonas vaginalis adenylate cyclase type IX, putative 0.0302 0.0902 1
Trichomonas vaginalis conserved hypothetical protein 0.0302 0.0902 1
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0159 0.0423 0.1758
Trichomonas vaginalis adenylate cyclase type, putative 0.0302 0.0902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0032 0.0296
Trichomonas vaginalis guanylate cyclase beta 1 subunit, putative 0.0302 0.0902 1
Loa Loa (eye worm) hypothetical protein 0.0302 0.0902 0.0897
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0023 0.0191
Loa Loa (eye worm) hypothetical protein 0.0159 0.0423 0.0418
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0034 0.0006 0.5
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0118 0.0285 1
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0012 0.0075
Echinococcus granulosus choline O acetyltransferase 0.0159 0.0423 0.1758
Loa Loa (eye worm) hypothetical protein 0.1521 0.499 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0096 0.1008
Echinococcus granulosus single minded 2 0.0302 0.0902 0.377
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0302 0.0902 1
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0159 0.0423 0.0418
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0448 0.1393 0.5839
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Loa Loa (eye worm) choline O-acetyltransferase 0.0159 0.0423 0.0418
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.1521 0.499 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0096 0.1008
Trichomonas vaginalis conserved hypothetical protein 0.0302 0.0902 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0159 0.0423 0.1758
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0208 0.0589 0.117
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0249 0.0725 0.3029
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0083 0.0167 0.2348
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0059 0.0593
Schistosoma mansoni hypothetical protein 0.0302 0.0902 0.6457
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0061 0.0096 0.038
Trichomonas vaginalis adenylate cyclase type, putative 0.0302 0.0902 1
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Giardia lamblia GTOR 0.0061 0.0096 0.0418
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0059 0.0593
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0049 0.0488
Schistosoma mansoni voltage-gated potassium channel 0.0302 0.0902 0.6457
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0302 0.0902 1
Trichomonas vaginalis adenylate cyclase type III, putative 0.0302 0.0902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0023 0.0191
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0159 0.0423 0.4362
Brugia malayi Choline O-acetyltransferase 0.0159 0.0423 0.0838
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0302 0.0902 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0157 0.0416 0.0823
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0012 0.0075
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0157 0.0416 0.1726
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.005 0.0059 0.0224
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0157 0.0416 0.1726
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0302 0.0902 0.377
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0012 0.0073
Trichomonas vaginalis conserved hypothetical protein 0.0302 0.0902 1
Schistosoma mansoni choline o-acyltransferase 0.0159 0.0423 0.301
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.024 0.0695 0.7695
Entamoeba histolytica hypothetical protein 0.0192 0.0533 0.7652
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0167 0.0325
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.024 0.0695 1
Schistosoma mansoni voltage-gated potassium channel 0.0302 0.0902 0.6457
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0166 0.0447 0.4924
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0083 0.0167 0.1167
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0159 0.0423 0.4362
Trypanosoma brucei hypothetical protein, conserved 0.0159 0.0423 0.4362
Onchocerca volvulus 0.3016 1 1
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0302 0.0902 1
Leishmania major carnitine/choline acetyltransferase, putative 0.0159 0.0423 0.1758
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0083 0.0167 0.1807
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0302 0.0902 0.1798
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0059 0.0593
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0072 0.0132 0.0533
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0049 0.0488
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.024 0.0695 0.2901
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0743 0.2382 1
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0743 0.2382 1
Schistosoma mansoni 60S ribosomal protein L21 0.0302 0.0902 0.6457
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0059 0.0593
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0061 0.0096 0.0988
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0302 0.0902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0036 0.034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0012 0.0073
Trichomonas vaginalis conserved hypothetical protein 0.0302 0.0902 1
Trichomonas vaginalis adenylate cyclase type, putative 0.0302 0.0902 1
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis adenylate cyclase type IX, putative 0.0302 0.0902 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0049 0.0488
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0302 0.0902 1
Echinococcus multilocularis voltage gated potassium channel 0.0302 0.0902 0.377
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0159 0.0423 0.4362
Trichomonas vaginalis adenylate cyclase type IX, putative 0.0302 0.0902 1
Schistosoma mansoni voltage-gated potassium channel 0.0302 0.0902 0.6457
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.024 0.0695 0.7695
Trichomonas vaginalis adenylyl cyclase type V, putative 0.0302 0.0902 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0249 0.0725 0.3029
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0192 0.0533 0.7652
Trypanosoma cruzi hypothetical protein, conserved 0.0159 0.0423 0.1758
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0249 0.0725 0.072
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0034 0.0006 0.0057
Echinococcus multilocularis choline O acetyltransferase 0.0159 0.0423 0.1758
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0049 0.0488
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0159 0.0423 0.1758
Trichomonas vaginalis intestinal guanylate cyclase, putative 0.0302 0.0902 1
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0743 0.2382 1
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Schistosoma mansoni voltage-gated potassium channel 0.0302 0.0902 0.6457
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0083 0.0167 0.0681
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.023 0.066 0.9489
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0061 0.0096 0.0651
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0302 0.0902 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0249 0.0725 0.7476
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.0069 0.0712
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0023 0.0191
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Loa Loa (eye worm) phosphatidylinositol 3 0.04 0.1231 0.1227
Trichomonas vaginalis guanylate cyclase, putative 0.0302 0.0902 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0108 0.0254 0.3601
Trichomonas vaginalis adenylate cyclase type IX, putative 0.0302 0.0902 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0302 0.0902 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.024 0.0695 0.7695
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0448 0.1393 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0022 0.0179
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0061 0.0096 0.038
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0061 0.0096 0.131
Trypanosoma cruzi hypothetical protein, conserved 0.0159 0.0423 0.1758
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0061 0.0096 0.0181
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0448 0.1393 0.5839
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0159 0.0423 0.0838
Mycobacterium leprae Possible transporter protein 0.0302 0.0902 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.024 0.0695 0.1383
Leishmania major carnitine palmitoyltransferase-like protein 0.0249 0.0725 0.3029
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0302 0.0902 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0083 0.0167 0.2348
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0083 0.0167 0.1726
Trichomonas vaginalis hypothetical protein 0.0302 0.0902 1
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0159 0.0423 0.1758
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0061 0.0096 0.038
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0302 0.0902 1
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0159 0.0423 0.1758
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0061 0.0096 0.038
Trichomonas vaginalis adenylate cyclase type vIII, putative 0.0302 0.0902 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.017 0.0164
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1
Trichomonas vaginalis conserved hypothetical protein 0.0302 0.0902 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0047 0.0049 1
Schistosoma mansoni choline o-acyltransferase 0.0159 0.0423 0.301
Trichomonas vaginalis adenylate cyclase, putative 0.0302 0.0902 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 280 nM Antiproliferative activity against PTEN deficient human PC3 cells assessed as cell viability after 3 days by CellTiter-Glo assay ChEMBL. 23932790
IC50 (binding) = 11 nM Inhibition of mTOR in PTEN deficient human PC3 cells assessed as inhibition of Akt phosphorylation at Ser473 ChEMBL. 23932790
IC50 (binding) = 40 nM Inhibition of mTOR in PTEN deficient human PC3 cells assessed as inhibition of p70S6K phosphorylation ChEMBL. 23932790
Ki (binding) = 6 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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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