Detailed information for compound 1949930

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 500.567 | Formula: C28H29FN6O2
  • H donors: 1 H acceptors: 4 LogP: 2.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCc1ncnc(c1C#Cc1ccc(nc1C)N)c1ccc(c(c1)F)C(=O)N1CCN(CC1)C1COC1
  • InChi: 1S/C28H29FN6O2/c1-3-25-23(8-4-19-6-9-26(30)33-18(19)2)27(32-17-31-25)20-5-7-22(24(29)14-20)28(36)35-12-10-34(11-13-35)21-15-37-16-21/h5-7,9,14,17,21H,3,10-13,15-16H2,1-2H3,(H2,30,33)
  • InChiKey: VCBZYXWNIVGHQA-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
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 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
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania major target of rapamycin (TOR) kinase 2, 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
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis 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
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
Leishmania mexicana phosphatidylinositol 3-kinase, 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
Loa Loa (eye worm) phosphatidylinositol 3 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
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma brucei phosphatidylinositol 4-kinase, 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
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 phopsphatidylinositol 3-kinase, drosophila, putative Get druggable targets OG5_127444 All targets in OG5_127444
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol 3-kinase 1, 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 ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_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
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
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 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
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 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127444 All targets in OG5_127444
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
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
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, 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
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
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania donovani 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
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, 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
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Loa Loa (eye worm) 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
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
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica phosphatidylinositol 3-kinase, putative phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha 1068 aa 927 aa 29.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0125 0.5218 0.5126
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0036 0.1001 0.1668
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0194 0.8485 0.8456
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0321 0.0272
Loa Loa (eye worm) hypothetical protein 0.0032 0.0815 0.0839
Brugia malayi hypothetical protein 0.0033 0.0875 0.0721
Brugia malayi Integrin beta pat-3 precursor 0.022 0.9708 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.1654 0.3267
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0226 1 1
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0194 0.8485 0.8456
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0058 0.203 0.3778
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0085 0.3308 0.6533
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0122 0.5063 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0042 0.1284 0.2249
Loa Loa (eye worm) integrin beta-2 0.022 0.9708 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0043 0.1333 0.2348
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0103 0.4175 0.4188
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0056 0.1943 0.3601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.1504 0.297
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0995 0.1965
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0043 0.1333 0.1203
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0058 0.203 0.1877
Loa Loa (eye worm) phosphatidylinositol 3 0.0202 0.8855 0.9122
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0085 0.3308 0.6533
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0125 0.5218 0.5126
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0104 0.4229 0.4245
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0194 0.8485 0.8456
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0321 0.0633
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0321 0.0633
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0043 0.1333 0.2633
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0058 0.203 0.3778
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0122 0.5063 1
Brugia malayi prolyl oligopeptidase family protein 0.0042 0.1284 0.1151
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0321 0.0719
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0847 0.1672
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0042 0.1284 0.5951
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.5063 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.203 0.4009
Giardia lamblia GTOR 0.0058 0.203 0.9047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.1504 0.297
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0051 0.1697 0.1585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.1504 0.297
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0321 0.0633
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0019 0.0188 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0194 0.8485 0.8716
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0321 0.033
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0321 0.0719
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0058 0.203 0.3778
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0019 0.0188 0.0372
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0122 0.5063 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0122 0.5063 0.5121
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.1504 0.297
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.3088 0.2956
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0226 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0058 0.203 0.3778
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0125 0.5218 0.5126
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0058 0.203 0.1877
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0047 0.1506 0.7154
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0122 0.5063 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.203 0.4009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.1504 0.297
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1371 0.2708
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0042 0.1284 0.5951
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0058 0.203 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0043 0.1333 0.2348
Schistosoma mansoni dopamine-beta-monooxygenase 0.0103 0.4175 0.4063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0847 0.1672
Brugia malayi Kelch motif family protein 0.0033 0.0875 0.0721
Entamoeba histolytica hypothetical protein 0.0098 0.3918 0.7652
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0029 0.0674 0.264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.098 0.1935
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0321 0.0135
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0026 0.0526 0.1836
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1371 0.2708
Trypanosoma cruzi target of rapamycin kinase 3 0.0047 0.1506 0.2703
Schistosoma mansoni peptidylglycine monooxygenase 0.0103 0.4175 0.4063
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0033 0.0875 0.0901
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0321 0.0272
Brugia malayi prolyl oligopeptidase family protein 0.0125 0.5218 0.5283
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0845 0.1668
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.203 0.4009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1371 0.2708
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0058 0.203 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0019 0.0188 0.1372
Loa Loa (eye worm) phosphatidylinositol 3 0.0036 0.1001 0.1031
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0019 0.0188 0.0372
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1371 0.2708
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0321 0.0135
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0321 0.0633
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0047 0.1506 0.7154
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.008 0.3088 0.3047
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0042 0.1284 0.5951
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0042 0.1284 0.1117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.098 0.1935
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0043 0.1333 0.1167
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0019 0.0188 0.1372
Loa Loa (eye worm) hypothetical protein 0.008 0.3088 0.3181
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1371 0.2708
Loa Loa (eye worm) phosphatidylinositol 3 0.0058 0.203 0.2091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1371 0.2708
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0058 0.203 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0995 0.1965
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0321 0.0139
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0043 0.1333 0.2633
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0098 0.3918 0.7652
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0019 0.0188 0.5
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0058 0.203 1
Loa Loa (eye worm) hypothetical protein 0.0194 0.8485 0.8741
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.1128 0.2227
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.1183 0.2337
Loa Loa (eye worm) prolyl oligopeptidase 0.0125 0.5218 0.5375
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0042 0.1284 0.1117
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0061 0.2163 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0321 0.0135
Schistosoma mansoni integrin beta subunit 0.0129 0.5425 0.5338
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0043 0.1333 0.6215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0847 0.1672
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.4731 0.9319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0148 0.0292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1371 0.2708
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0043 0.1333 0.2348
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0058 0.203 0.1935
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0845 0.1668
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0019 0.0188 0.0194
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.3088 0.2956
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0022 0.0321 0.0719
Brugia malayi hypothetical protein 0.0032 0.0815 0.0658
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0995 0.1965
Echinococcus multilocularis integrin beta 2 0.0163 0.7008 0.6951
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0321 0.0633
Loa Loa (eye worm) hypothetical protein 0.0033 0.0875 0.0901
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0058 0.203 0.1877
Toxoplasma gondii target of rapamycin (TOR), putative 0.0044 0.1371 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0019 0.0188 0.0372
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0845 0.1668
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0052 0.177 0.1662
Loa Loa (eye worm) hypothetical protein 0.0042 0.1267 0.1305
Echinococcus granulosus integrin beta 2 0.0163 0.7008 0.6951
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0042 0.1284 0.2249
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0043 0.1333 0.2633
Leishmania major phosphatidylinositol 3-kinase, putative 0.0022 0.0321 0.0719
Echinococcus granulosus Dipeptidyl peptidase 9 0.0042 0.1284 0.1117
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.5063 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0125 0.5218 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0042 0.1284 0.9368
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0847 0.1672
Loa Loa (eye worm) hypothetical protein 0.0103 0.4175 0.43

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16.96 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) = 153.4 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) = 153.4 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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