Detailed information for compound 1508929

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.359 | Formula: C18H16N6O
  • H donors: 3 H acceptors: 4 LogP: 3.28 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)Nc1nc2c(n1c1cc(N)nc(n1)C)cccc2
  • InChi: 1S/C18H16N6O/c1-11-20-16(19)10-17(21-11)24-15-8-3-2-7-14(15)23-18(24)22-12-5-4-6-13(25)9-12/h2-10,25H,1H3,(H,22,23)(H2,19,20,21)
  • InChiKey: BXHVWNJQHQUIPW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127444 All targets in OG5_127444
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
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
Leishmania infantum phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma brucei 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
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative 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
Echinococcus multilocularis 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
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia 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
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
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) 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
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_127444 All targets in OG5_127444
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like 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
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 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
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
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 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
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
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 2, 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
Leishmania donovani 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
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 phosphatidylinositol 3-kinase tor, 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
Toxoplasma gondii target of rapamycin (TOR), 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_127444 All targets in OG5_127444
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
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), 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 phopsphatidylinositol 3-kinase, drosophila, 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 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 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
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 phosphatidylinositol 3-kinase class, 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
Loa Loa (eye worm) phosphatidylinositol 3 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 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
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) 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
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, putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
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 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica phosphatidylinositol 3-kinase, putative phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha 1068 aa 927 aa 29.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0029 0.0124 0.0124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0707 0.0452
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0944 0.0696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0268 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1258 0.1019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1258 0.1019
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0043 0.0675 0.0675
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0122 0.3796 0.3627
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0061 0.137 0.1191
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0104 0.3098 0.2599
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0058 0.1258 0.0478
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0392 0.0129
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0058 0.1258 0.0478
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0707 0.0452
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.055 0.0291
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0043 0.0675 0.042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0392 0.0129
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.3519 0.911
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0122 0.3796 0.3347
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.2144 0.1013
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0056 0.1186 0.1637
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0085 0.2328 0.2117
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0058 0.1258 0.0897
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0392 0.0129
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0707 0.0452
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0058 0.1258 0.0626
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0226 0.7928 0.7629
Giardia lamblia GTOR 0.0058 0.1258 0.1077
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0043 0.0675 0.042
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.009 0.2517 0.2207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0818 0.0567
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0379 0.0116
Loa Loa (eye worm) hypothetical protein 0.008 0.2144 0.1819
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0122 0.3796 0.3627
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0818 0.0567
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0503 0.0243
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0092 0.2623 0.2318
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.1258 0.1019
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0122 0.3796 0.3627
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0047 0.082 0.082
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0058 0.1258 0.1869
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0085 0.2328 0.2117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0268 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0818 0.0567
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0268 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0707 0.0452
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0058 0.1258 0.1258
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0707 0.0452
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.3796 0.354
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.008 0.2144 0.1575
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0707 0.0452
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0097 0.2794 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0058 0.1258 0.0897
Entamoeba histolytica hypothetical protein 0.0098 0.2838 0.6931
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.3796 0.354
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0098 0.2838 0.6931
Trypanosoma cruzi target of rapamycin kinase 3 0.0047 0.082 0.044
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0268 0.0002
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0043 0.0675 0.042
Loa Loa (eye worm) phosphatidylinositol 3 0.0202 0.697 0.6844
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0226 0.7928 0.7778
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0707 0.0452
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0122 0.3796 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0818 0.0567
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.008 0.2144 0.1013
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0058 0.1258 0.1869
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0226 0.7928 0.7629
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0058 0.1258 0.0626
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0379 0.0116
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0043 0.0675 0.0289
Loa Loa (eye worm) hypothetical protein 0.0042 0.062 0.0232
Loa Loa (eye worm) phosphatidylinositol 3 0.0058 0.1258 0.0897
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0058 0.1258 0.1258
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0818 0.0567
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0182 0.6173 0.5882

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.042 uM Inhibition of PI3Kalpha ChEMBL. 21376583
IC50 (binding) = 0.043 uM Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of AKT at S473 ChEMBL. 21376583
IC50 (binding) = 0.087 uM Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-Screen enzyme assay ChEMBL. 21376583
IC50 (binding) = 1.2 uM Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46 ChEMBL. 21376583

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.