Detailed information for compound 1601522

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 461.491 | Formula: C24H24FN7O2
  • H donors: 2 H acceptors: 5 LogP: 2.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)[C@H]1OCC[C@H]1Nc1cncc(n1)C(=O)c1cn(c2c1c(N)ncn2)C(C)C
  • InChi: 1S/C24H24FN7O2/c1-13(2)32-11-16(20-23(26)28-12-29-24(20)32)21(33)18-9-27-10-19(31-18)30-17-7-8-34-22(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,22H,7-8H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,22-/m1/s1
  • InChiKey: GBNXVWADDOZSLG-VGOFRKELSA-N  


Substructure search Similarity search

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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 mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL References
Homo sapiens 3-phosphoinositide dependent protein kinase 1 Starlite/ChEMBL References
Mus musculus phosphatidylinositol 3-kinase, catalytic, alpha polypeptide Starlite/ChEMBL References
Homo sapiens v-akt murine thymoma viral oncogene homolog 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Candida albicans similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade Get druggable targets OG5_128785 All targets in OG5_128785
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_127212 All targets in OG5_127212
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
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 major 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
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 AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 Get druggable targets OG5_128785 All targets in OG5_128785
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Leishmania donovani phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Brugia malayi phosphoinositide-dependent protein kinase I Get druggable targets OG5_128785 All targets in OG5_128785
Plasmodium vivax rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 Get druggable targets OG5_128785 All targets in OG5_128785
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Toxoplasma gondii AGC kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K04456 RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Neospora caninum Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Giardia lamblia GTOR 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
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
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
Echinococcus granulosus calcium:calmodulin dependent protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma brucei phosphatidylinositol 3-kinase tor, 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
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
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K07390 monothiol glutaredoxin, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium berghei rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative Get druggable targets OG5_127444 All targets in OG5_127444
Loa Loa (eye worm) AGC/PDK1 protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Trichomonas vaginalis phosphatidylinositol kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans likely protein kinase similar to S. cerevisiae YPK2 (YMR104C) Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta-1, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Giardia lamblia Kinase, AGC PKA Get druggable targets OG5_126635 All targets in OG5_126635
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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 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
Loa Loa (eye worm) AGC/PDK1 protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis rac serine:threonine kinase Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
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
Trypanosoma brucei rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade Get druggable targets OG5_128785 All targets in OG5_128785
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, 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 protein kinase 2, putative Get druggable targets OG5_126635 All targets in OG5_126635
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
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
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
Echinococcus granulosus Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi Protein kinase B Get druggable targets OG5_126635 All targets in OG5_126635
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 brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium knowlesi RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi p70 ribosomal S6 kinase beta Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K06276 3-phosphoinositide dependent protein kinase-1, putative Get druggable targets OG5_128785 All targets in OG5_128785
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus serine threonine protein kinase nrc Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_128785 All targets in OG5_128785
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 AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K08792 serum/glucocorticoid regulated kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 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
Leishmania mexicana phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Loa Loa (eye worm) AGC/RSK/P70 protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium falciparum RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
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
Echinococcus multilocularis Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium yoelii kinase Akt/PKB-related Get druggable targets OG5_126635 All targets in OG5_126635
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
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 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
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad Get druggable targets OG5_126635 All targets in OG5_126635
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
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_128785 All targets in OG5_128785
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 tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) AGC/AKT protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis PIKK family atypical protein kinase 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
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
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 3-kinase, catalytic, alpha polypeptide 1068 aa 927 aa 29.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus PAK box P21 Rho binding 0.0062 0.0572 0.0627
Trichomonas vaginalis AGC family protein kinase 0.0042 0.0285 0.202
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.006 0.0545 0.0598
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0047 0.0353 0.6934
Echinococcus multilocularis rac serine:threonine kinase 0.0029 0.0107 0.0117
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.006 0.0545 0.0598
Echinococcus multilocularis PAK box P21 Rho binding 0.0064 0.0601 0.0659
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0352 0.2495
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0397 0.2812
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0064 0.0601 0.0659
Entamoeba histolytica hypothetical protein 0.0062 0.0572 0.3732
Trichomonas vaginalis STE family protein kinase 0.0064 0.0601 0.4258
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0058 0.0509 0.326
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0064 0.0601 0.0659
Entamoeba histolytica protein kinase, putative 0.006 0.0545 0.3529
Trichomonas vaginalis AGC family protein kinase 0.0042 0.0285 0.202
Entamoeba histolytica protein kinase, putative 0.0067 0.0636 0.421
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0064 0.0601 0.0659
Trypanosoma cruzi target of rapamycin kinase 3 0.0047 0.0353 0.2499
Brugia malayi phosphoinositide-dependent protein kinase I 0.006 0.0545 0.0545
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0043 0.0302 0.2135
Loa Loa (eye worm) hypothetical protein 0.0042 0.0282 0.0282
Schistosoma mansoni wiskott-aldrich syndrome protein 0.0062 0.0572 0.1985
Giardia lamblia Kinase, STE STE20 0.0064 0.0601 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0058 0.0509 0.3605
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0122 0.1412 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0061 0.0549 0.9004
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0064 0.0601 0.0659
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0313 0.2215
Schistosoma mansoni serine/threonine protein kinase 0.006 0.0545 0.1891
Echinococcus multilocularis nervana 2 0.0025 0.0043 0.0047
Schistosoma mansoni hypothetical protein 0.0062 0.0572 0.1985
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0064 0.0601 0.0659
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0313 0.2215
Trichomonas vaginalis AGC family protein kinase 0.0042 0.0285 0.202
Trypanosoma brucei rac serine-threonine kinase, putative 0.0042 0.0285 0.5605
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0043 0.0302 0.2135
Loa Loa (eye worm) hypothetical protein 0.0062 0.0572 0.0572
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0098 0.1072 0.7456
Schistosoma mansoni serine/threonine-protein kinase 0.0029 0.0107 0.0372
Loa Loa (eye worm) phosphatidylinositol 3 0.0058 0.0509 0.0509
Entamoeba histolytica PH domain containing protein kinase, putative 0.0029 0.0107 0.0261
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0027 0.0072 0.0511
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0257 0.1819
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.0668 0.9121 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0039 0.025 0.025
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0226 0.2883 0.316
Entamoeba histolytica protein kinase, putative 0.0067 0.0636 0.421
Trichomonas vaginalis STE family protein kinase 0.0064 0.0601 0.4258
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0196 0.139
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0058 0.0509 0.1766
Entamoeba histolytica protein kinase, putative 0.0042 0.0285 0.1591
Schistosoma mansoni protein kinase 0.0064 0.0601 0.2086
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0043 0.0302 0.1711
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0085 0.089 0.6299
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0352 0.2495
Echinococcus granulosus serine/threonine protein kinase 0.0029 0.0107 0.0117
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0036 0.0203 0.1435
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.1314 0.9262
Echinococcus multilocularis nervana 2 0.0025 0.0043 0.0047
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0043 0.0302 0.1711
Echinococcus multilocularis Glutaredoxin protein 5 0.0025 0.0043 0.0047
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.006 0.0545 0.0545
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0201 0.1422
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0058 0.0509 1
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.073 1 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.0824 0.0904
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.0668 0.9121 1
Giardia lamblia GTOR 0.0058 0.0509 0.8256
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0313 0.2215
Echinococcus granulosus neural Wiskott Aldrich syndrome protein 0.0062 0.0572 0.0627
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0058 0.0509 0.0558
Trypanosoma cruzi Protein kinase B 0.0029 0.0107 0.0759
Brugia malayi Protein kinase domain 0.0064 0.0601 0.0601
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0027 0.0072 0.5
Entamoeba histolytica protein kinase, putative 0.0064 0.0601 0.3949
Entamoeba histolytica PH domain containing protein kinase, putative 0.0029 0.0107 0.0261
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0058 0.0509 1
Trichomonas vaginalis STE family protein kinase 0.0064 0.0601 0.4258
Echinococcus multilocularis PAK box P21 Rho binding 0.0062 0.0572 0.0627
Trichomonas vaginalis AGC family protein kinase 0.0042 0.0285 0.202
Loa Loa (eye worm) phosphatidylinositol 3 0.0036 0.0203 0.0203
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0058 0.0509 0.3605
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0196 0.139
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0156 0.1105
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0085 0.089 0.6299
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0043 0.0302 0.2135
Trichomonas vaginalis AGC family protein kinase 0.006 0.0545 0.386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0313 0.2215
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0025 0.0043 0.0047
Echinococcus granulosus nervana 2 0.0025 0.0043 0.0047
Brugia malayi p70 ribosomal S6 kinase beta 0.0039 0.025 0.025
Toxoplasma gondii target of rapamycin (TOR), putative 0.0044 0.0313 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0122 0.1412 1
Trichomonas vaginalis AGC family protein kinase 0.0042 0.0285 0.202
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0043 0.0302 0.5922
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0058 0.0509 0.326
Trichomonas vaginalis AGC family protein kinase 0.006 0.0545 0.386
Brugia malayi Protein kinase domain containing protein 0.0042 0.0285 0.0285
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0026 0.0061 0.1204
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0025 0.0043 0.0047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0157 0.111
Brugia malayi P21-Rho-binding domain containing protein 0.0062 0.0572 0.0572
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0043 0.0302 0.2135
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0029 0.0105 0.207
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0027 0.0072 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0058 0.0509 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.1412 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0509 0.3605
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.008 0.0824 0.0824
Trichomonas vaginalis STE family protein kinase 0.0064 0.0601 0.4258
Entamoeba histolytica protein kinase, putative 0.0064 0.0601 0.3949
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0122 0.1412 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.024 0.1702
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0156 0.1105
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0058 0.0509 0.0509
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0509 0.3605
Echinococcus granulosus 3'partial|serine:threonine protein kinase PAK 2 0.0062 0.0572 0.0627
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0027 0.0072 0.0079
Schistosoma mansoni hypothetical protein 0.0062 0.0572 0.1985
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0058 0.0509 0.0558
Brugia malayi WH1 domain containing protein 0.0062 0.0572 0.0572
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0047 0.0353 0.6934
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.1412 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0058 0.0509 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0042 0.0285 0.0285
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0043 0.0302 0.0302
Entamoeba histolytica p21-activated kinase 0.0067 0.0636 0.421
Trichomonas vaginalis STE family protein kinase 0.0064 0.0601 0.4258
Schistosoma mansoni serine/threonine-protein kinase 0.0029 0.0107 0.0372
Entamoeba histolytica hypothetical protein 0.0062 0.0572 0.3732
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0313 0.2215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0157 0.111
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.0824 0.0904
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0104 0.1164 0.1164
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0572 0.4052
Trichomonas vaginalis AGC family protein kinase 0.0042 0.0285 0.202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0157 0.111
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0226 0.2883 0.316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0352 0.2495
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0122 0.1412 1
Trichomonas vaginalis AGC family protein kinase 0.0042 0.0285 0.202
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0029 0.0107 0.0759
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0031 0.0133 0.1158
Schistosoma mansoni protein kinase 0.0062 0.0572 0.1985
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0122 0.1412 0.1412
Echinococcus granulosus nervana 2 0.0025 0.0043 0.0047
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0027 0.0072 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0352 0.2495
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0043 0.0302 0.1046
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0572 0.1985
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0201 0.1422
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.0824
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0064 0.0601 0.0659
Entamoeba histolytica protein kinase, putative 0.0042 0.0285 0.1591
Schistosoma mansoni tyrosine kinase 0.0062 0.0572 0.1985
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0157 0.111
Loa Loa (eye worm) phosphatidylinositol 3 0.0202 0.2542 0.2542
Echinococcus granulosus Glutaredoxin protein 5 0.0025 0.0043 0.0047
Schistosoma mansoni protein kinase 0.0064 0.0601 0.2086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0156 0.1105
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0056 0.0483 0.3068
Loa Loa (eye worm) P21-Rho-binding domain-containing protein 0.0062 0.0572 0.0572
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0226 0.2883 1
Trichomonas vaginalis AGC family protein kinase 0.006 0.0545 0.386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0352 0.2495
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0313 0.2215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0201 0.1422
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.006 0.0545 0.0545
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0313 0.2215
Schistosoma mansoni hypothetical protein 0.0062 0.0572 0.1985
Entamoeba histolytica hypothetical protein 0.0098 0.1072 0.7456
Entamoeba histolytica protein kinase, putative 0.0039 0.025 0.133
Schistosoma mansoni protein kinase 0.0064 0.0601 0.2086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0509 0.3605
Brugia malayi Protein kinase domain containing protein 0.006 0.0545 0.0545
Brugia malayi P21-Rho-binding domain containing protein 0.0062 0.0572 0.0572
Echinococcus multilocularis neural Wiskott Aldrich syndrome protein 0.0062 0.0572 0.0627
Echinococcus granulosus serine threonine protein kinase nrc 0.0027 0.0072 0.0079

Activities

Activity type Activity value Assay description Source Reference
Inhibition (ADMET) = 23 % Inhibition of CYP1A2 at 3 uM ChEMBL. 22040023
Inhibition (ADMET) = 23 % Inhibition of CYP2C9 at 3 uM ChEMBL. 22040023
Inhibition (ADMET) = 23 % Inhibition of CYP2D6 at 3 uM ChEMBL. 22040023
Inhibition (ADMET) = 23 % Inhibition of CYP3A4 at 3 uM ChEMBL. 22040023
Ki (binding) = 1.3 nM Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence-based spectrophotometry ChEMBL. 22040023
Ki (binding) = 230 nM Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay ChEMBL. 22040023
Ki (binding) = 430 nM Inhibition of mouse PI3Kalpha after 30 mins by fluorescence polarization assay ChEMBL. 22040023
Ki (binding) = 3900 nM Inhibition of GST-tagged mTOR assessed as phosphorylation at Thr46 in GFP-4E-BP1 substrate by TR-FRET assay ChEMBL. 22040023

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.

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