Detailed information for compound 1982588

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.521 | Formula: C26H26F2N6O
  • H donors: 1 H acceptors: 4 LogP: 3.14 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)C(=O)c1c(F)cc(cc1F)c1ncnc(c1C#Cc1ccc(nc1)N)CC
  • InChi: 1S/C26H26F2N6O/c1-3-22-19(7-5-17-6-8-23(29)30-15-17)25(32-16-31-22)18-13-20(27)24(21(28)14-18)26(35)34-11-9-33(4-2)10-12-34/h6,8,13-16H,3-4,9-12H2,1-2H3,(H2,29,30)
  • InChiKey: XVJNXINQULRUSZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Leishmania mexicana 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
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
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
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
Trichomonas vaginalis PIKK family atypical protein kinase 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 mansoni ataxia telangiectasia mutated (atm)-related 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
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
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
Toxoplasma gondii target of rapamycin (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 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 phosphatidylinositol 4-kinase, putative 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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
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
Neospora caninum Phosphatidylinositol 3-kinase tor2, related 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
Leishmania mexicana phosphatidylinositol 3-kinase, 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
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 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 PIKK family atypical protein kinase 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
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein 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
Leishmania donovani Phosphatidylinositol 3-kinase tor2 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
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
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
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
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 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 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 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 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
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
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
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
Entamoeba histolytica phosphatidylinositol 3-kinase, 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
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
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 phosphatidylinositol 3-kinase class, 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
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_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase, 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
Schistosoma japonicum ko:K07203 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
Leishmania infantum target of rapamycin (TOR) kinase 2, 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
Leishmania donovani Phosphatidylinositol 3-kinase tor1 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
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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania 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
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0337 0.032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1119 0.281
Echinococcus multilocularis acetylcholinesterase 0.031 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0122 0.3376 0.2953
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0058 0.1119 0.0212
Echinococcus granulosus acetylcholinesterase 0.031 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1906 0.161
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.3129 0.911
Entamoeba histolytica hypothetical protein 0.0098 0.2524 0.6931
Brugia malayi Carboxylesterase family protein 0.0052 0.0926 0.0347
Loa Loa (eye worm) hypothetical protein 0.0052 0.0926 0.0594
Brugia malayi Carboxylesterase family protein 0.0052 0.0926 0.0347
Brugia malayi Carboxylesterase family protein 0.0052 0.0926 0.0347
Trichomonas vaginalis spcc417.12 protein, putative 0.0052 0.0926 0.2197
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0056 0.1055 0.1637
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0085 0.207 0.5839
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0058 0.1119 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0238 0.0005
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0058 0.1119 0.1869
Loa Loa (eye worm) hypothetical protein 0.0042 0.0551 0.0205
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0122 0.3376 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0052 0.0926 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0202 0.6198 0.6058
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0226 0.7049 0.6748
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0629 0.1248
Loa Loa (eye worm) carboxylesterase 0.0052 0.0926 0.0594
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0043 0.06 0.5364
Onchocerca volvulus 0.0052 0.0926 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0058 0.1119 0.0794
Loa Loa (eye worm) hypothetical protein 0.0052 0.0926 0.0594
Loa Loa (eye worm) hypothetical protein 0.0052 0.0926 0.0594
Schistosoma mansoni neuroligin 3 (S09 family) 0.0052 0.0926 0.0347
Loa Loa (eye worm) carboxylesterase 0.031 1 1
Echinococcus granulosus carboxylesterase 5A 0.031 1 1
Onchocerca volvulus 0.0052 0.0926 0.5
Loa Loa (eye worm) carboxylesterase 0.0052 0.0926 0.0594
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0104 0.2755 0.2293
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.3376 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0085 0.207 0.5839
Echinococcus granulosus acetylcholinesterase 0.031 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0043 0.06 0.1157
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0122 0.3376 1
Echinococcus multilocularis carboxylesterase 5A 0.031 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0052 0.0926 0.0347
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0226 0.7049 0.6748
Brugia malayi Carboxylesterase family protein 0.031 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0052 0.0926 0.2197
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0058 0.1119 0.2533
Onchocerca volvulus 0.0052 0.0926 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0727 0.1562
Schistosoma mansoni gliotactin 0.0052 0.0926 0.0347
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.031 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0727 0.1562
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0058 0.1119 0.0552
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0629 0.1248
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0058 0.1119 0.2533
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0047 0.0729 0.6514
Loa Loa (eye worm) hypothetical protein 0.0052 0.0926 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0349 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0629 0.1248
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0226 0.7049 0.6861
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0122 0.3376 1
Brugia malayi hypothetical protein 0.0052 0.0926 0.0347
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.1906 0.108
Trypanosoma cruzi target of rapamycin kinase 3 0.0047 0.0729 0.1243
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.1906 0.108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1119 0.281
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0043 0.06 0.1157
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0448 0.0671
Brugia malayi Carboxylesterase family protein 0.0052 0.0926 0.0347
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0043 0.06 0.0817
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.3376 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0349 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0727 0.1562
Loa Loa (eye worm) hypothetical protein 0.0052 0.0926 0.0594
Schistosoma mansoni acetylcholinesterase 0.0052 0.0926 0.0347
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0029 0.011 0.0985
Giardia lamblia GTOR 0.0058 0.1119 0.9047
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0489 0.0803
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0058 0.1119 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0337 0.032
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0058 0.1119 0.1869
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0629 0.1248
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0839 0.1918
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0043 0.06 0.1157
Echinococcus multilocularis acetylcholinesterase 0.031 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0238 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1119 0.281
Onchocerca volvulus 0.0052 0.0926 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0122 0.3376 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0052 0.0926 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0052 0.0926 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0058 0.1119 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0052 0.0926 0.0347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0727 0.1562
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0629 0.1248
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0052 0.0926 0.0347
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0052 0.0926 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0058 0.1119 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0098 0.2524 0.6931
Loa Loa (eye worm) hypothetical protein 0.0052 0.0926 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0629 0.1248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0629 0.1248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0238 0.0005
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0061 0.1218 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0727 0.1562
Loa Loa (eye worm) hypothetical protein 0.031 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.031 1 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0058 0.1119 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.008 0.1906 0.139
Toxoplasma gondii target of rapamycin (TOR), putative 0.0044 0.0629 0.5
Loa Loa (eye worm) hypothetical protein 0.031 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0349 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0238 0.0005
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0058 0.1119 0.0552
Loa Loa (eye worm) hypothetical protein 0.0052 0.0926 0.0594
Schistosoma mansoni BC026374 protein (S09 family) 0.0052 0.0926 0.0347
Onchocerca volvulus 0.0052 0.0926 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.24 nM BindingDB_Patents: mTOR Kinase Activity Assay. The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase. ChEMBL. No reference
IC50 (binding) = 275.8 nM BindingDB_Patents: Filter-Binding-Assay. PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64. ChEMBL. No reference
IC50 (binding) = 275.8 nM BindingDB_Patents: Filter-Binding-Assay. PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64. ChEMBL. No reference

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

No literature references available for this target.

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