Detailed information for compound 1962284

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.521 | Formula: C26H26F2N6O
  • H donors: 1 H acceptors: 4 LogP: 3.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ncnc(c1C#Cc1ccc(nc1)NC)c1cc(F)c(c(c1)F)C(=O)N1CCN(CC1)C
  • InChi: 1S/C26H26F2N6O/c1-4-22-19(7-5-17-6-8-23(29-2)30-15-17)25(32-16-31-22)18-13-20(27)24(21(28)14-18)26(35)34-11-9-33(3)10-12-34/h6,8,13-16H,4,9-12H2,1-3H3,(H,29,30)
  • InChiKey: WQWASHFUTNDNNG-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
Neospora caninum Phosphatidylinositol 3-kinase tor2, related 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
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 kinase, 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
Leishmania infantum phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 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
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
Loa Loa (eye worm) phosphatidylinositol 3 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
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
Loa Loa (eye worm) hypothetical 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
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
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 phopsphatidylinositol 3-kinase, drosophila, putative Get druggable targets OG5_127444 All targets in OG5_127444
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 brucei gambiense phosphatidylinositol 3 kinase, putative 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
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 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
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
Loa Loa (eye worm) phosphatidylinositol 3 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
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) 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 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
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein 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 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 phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, 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 phosphatidylinositol 3-kinase 1, 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
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 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
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
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
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), 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 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
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, 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
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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative 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
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
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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 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
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 brucei phosphatidylinositol 3-kinase tor, putative 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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 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
Leishmania donovani 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
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
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
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 cruzi phosphatidylinositol 3-kinase, putative 0.0036 0.0703 0.1435
Leishmania major cathepsin L-like protease 0.0033 0.053 0.3003
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0058 0.1766 0.3541
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0058 0.1766 1
Echinococcus multilocularis cathepsin b 0.0097 0.3692 0.3692
Loa Loa (eye worm) hypothetical protein 0.0023 0.0048 0.0055
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0122 0.49 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.4557 0.9293
Leishmania major cathepsin L-like protease 0.0033 0.053 0.3003
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0058 0.1766 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0036 0.0703 0.0797
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.053 0.0994
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.49 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Echinococcus multilocularis cysteine protease 0.0033 0.053 0.053
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.2859 0.2859
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.053 0.3003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0226 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0033 0.053 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.1222 0.2495
Leishmania major cathepsin L-like protease 0.0033 0.053 0.3003
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0122 0.49 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.3692 0.4187
Plasmodium falciparum cysteine proteinase falcipain 3 0.0033 0.053 0.5
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0047 0.1225 0.6934
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0036 0.0687 0.3888
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.053 0.053
Loa Loa (eye worm) ctsf protein 0.0033 0.053 0.0601
Brugia malayi Cathepsin L-like precursor 0.0033 0.053 0.1082
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0122 0.49 1
Plasmodium vivax vivapain-2 0.0033 0.053 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1085 0.2215
Onchocerca volvulus Cathepsin L homolog 0.0033 0.053 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0058 0.1766 0.3605
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0043 0.1046 0.2057
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0043 0.1046 0.2135
Echinococcus multilocularis cysteine protease 0.0033 0.053 0.053
Echinococcus multilocularis cathepsin b 0.0097 0.3692 0.3692
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0097 0.3692 0.3692
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1766 0.3605
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0122 0.49 1
Brugia malayi Cathepsin L-like precursor 0.0033 0.053 0.1082
Loa Loa (eye worm) cysteine protease 0.0033 0.053 0.0601
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.053 0.3003
Trypanosoma cruzi cysteine peptidase, putative 0.0033 0.053 0.1082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1085 0.2215
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.053 0.3003
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.053 0.053
Onchocerca volvulus 0.0033 0.053 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.053 0.1082
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0056 0.1677 0.3357
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0043 0.1046 0.2135
Giardia lamblia Cathepsin B precursor 0.0036 0.0687 0.1553
Loa Loa (eye worm) fibroinase 0.0033 0.053 0.0601
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0036 0.0687 0.0687
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Trypanosoma cruzi target of rapamycin kinase 3 0.0047 0.1225 0.2499
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.1378 0.2812
Plasmodium vivax vivapain-2 0.0033 0.053 0.5
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0061 0.1903 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0122 0.49 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.053 0.1082
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.053 0.3003
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.053 0.1082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0697 0.1422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0542 0.1105
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.1222 0.2495
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.053 0.3003
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0033 0.053 0.5
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0047 0.1225 0.6934
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0043 0.1046 0.2057
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.053 0.1082
Echinococcus granulosus cathepsin l1 0.0033 0.053 0.053
Onchocerca volvulus 0.0033 0.053 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0048 0.0055
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.053 0.3003
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0058 0.1766 0.3541
Echinococcus granulosus cathepsin l cysteine peptidase 0.0033 0.053 0.053
Brugia malayi Cathepsin L-like precursor 0.0023 0.0048 0.0098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0681 0.139
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.053 0.1082
Entamoeba histolytica cysteine protease, putative 0.0033 0.053 0.0994
Leishmania major cathepsin L-like protease 0.0033 0.053 0.3003
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0097 0.3692 0.7535
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0043 0.1046 0.5922
Trypanosoma cruzi cysteine peptidase, putative 0.0033 0.053 0.1082
Echinococcus granulosus cathepsin L cysteine proteinase 0.0033 0.053 0.053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1085 0.2215
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0058 0.1766 0.3605
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.053 0.3003
Onchocerca volvulus 0.0033 0.053 1
Giardia lamblia Cathepsin B precursor 0.0036 0.0687 0.1553
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.053 0.1082
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0097 0.3692 0.3692
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.053 0.053
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0085 0.3086 0.6299
Giardia lamblia Cathepsin B precursor 0.0036 0.0687 0.1553
Brugia malayi Cathepsin L-like cysteine proteinase 0.0023 0.0048 0.0098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0544 0.111
Giardia lamblia GTOR 0.0058 0.1766 0.9047
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1085 0.2215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1766 0.3605
Brugia malayi Cathepsin L-like precursor 0.0023 0.0048 0.0098
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0058 0.1766 1
Onchocerca volvulus 0.0033 0.053 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.053 0.053
Leishmania major cathepsin L-like protease 0.0033 0.053 0.3003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0834 0.1702
Loa Loa (eye worm) hypothetical protein 0.0042 0.0978 0.1109
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0697 0.1422
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Brugia malayi Cathepsin L-like precursor 0.0033 0.053 0.1082
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.053 0.1082
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0058 0.1766 0.1766
Leishmania major cathepsin L-like protease 0.0033 0.053 0.3003
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.053 0.3003
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0043 0.1046 0.1046
Echinococcus granulosus cathepsin l1 0.0023 0.0048 0.0048
Loa Loa (eye worm) cathepsin B 0.0036 0.0687 0.0779
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.053 0.0994
Trypanosoma cruzi cruzipain precursor, putative 0.0033 0.053 0.1082
Echinococcus multilocularis G protein coupled receptor 139 0.0069 0.2302 0.2302
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0097 0.3692 0.3692
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.2859 0.2859
Brugia malayi cathepsin L-like precursor 0.0023 0.0048 0.0098
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0226 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0033 0.053 0.1082
Brugia malayi cathepsin B-like cysteine proteinase 0.0097 0.3692 0.7535
Echinococcus multilocularis neuropeptide receptor 0.0069 0.2302 0.2302
Loa Loa (eye worm) hypothetical protein 0.008 0.2859 0.3243
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1085 0.2215
Loa Loa (eye worm) hypothetical protein 0.0033 0.053 0.0601
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Onchocerca volvulus 0.0033 0.053 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0097 0.3692 0.3692
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0043 0.1046 0.2135
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1085 0.2215
Entamoeba histolytica hypothetical protein 0.0098 0.3717 0.7562
Onchocerca volvulus Cathepsin F homolog 0.0033 0.053 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0023 0.0048 0.0098
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0043 0.1046 0.2135
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1766 0.3605
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0029 0.0366 0.207
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0033 0.053 0.0601
Echinococcus granulosus cathepsin b 0.0097 0.3692 0.3692
Leishmania major cathepsin L-like protease 0.0033 0.053 0.3003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.1222 0.2495
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.053 0.053
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0098 0.3717 0.7562
Brugia malayi Cathepsin L-like precursor 0.0033 0.053 0.1082
Onchocerca volvulus 0.0033 0.053 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0048 0.0098
Loa Loa (eye worm) hypothetical protein 0.0023 0.0048 0.0055
Echinococcus granulosus cathepsin b 0.0097 0.3692 0.3692
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.053 0.053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0681 0.139
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0036 0.0687 0.1402
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.49 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Trypanosoma brucei cysteine peptidase C (CPC) 0.0036 0.0687 0.3888
Leishmania major cysteine peptidase A (CPA) 0.0033 0.053 0.3003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.1222 0.2495
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1085 0.2215
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0033 0.053 0.0601
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.053 0.1082
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0058 0.1766 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0043 0.1046 0.2135
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0697 0.1422
Loa Loa (eye worm) phosphatidylinositol 3 0.0202 0.8817 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0058 0.1766 0.2003
Onchocerca volvulus Cathepsin L homolog 0.0033 0.053 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0104 0.4038 0.8241
Onchocerca volvulus 0.0033 0.053 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0544 0.111
Toxoplasma gondii target of rapamycin (TOR), putative 0.0044 0.1085 1
Schistosoma mansoni neuropeptide receptor 0.0069 0.2302 0.2302
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0048 0.0098
Brugia malayi Cathepsin L-like precursor 0.0033 0.053 0.1082
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.053 0.1082
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.008 0.2859 0.5836
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0058 0.1766 0.1766
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0542 0.1105
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.053 0.1082
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.053 0.3003
Trypanosoma cruzi cysteine peptidase, putative 0.0033 0.053 0.1082
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.053 0.1082
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0058 0.1766 0.3605
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0544 0.111
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0036 0.0687 0.1402
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.053 0.3003
Toxoplasma gondii cathepsin B 0.0036 0.0687 0.2819
Schistosoma mansoni cathepsin F (C01 family) 0.0023 0.0048 0.0048
Leishmania major cathepsin L-like protease 0.0033 0.053 0.3003
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0085 0.3086 0.6299
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0891 0.1819
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0058 0.1766 0.1766
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.053 0.1082
Brugia malayi Cathepsin L-like precursor 0.0033 0.053 0.1082
Echinococcus granulosus neuropeptide receptor 0.0069 0.2302 0.2302
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0544 0.111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.1222 0.2495
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.053 0.3003
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0026 0.0213 0.1204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0542 0.1105
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.053 0.1082

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.84 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) = 388.1 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) = 388.1 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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