Detailed information for compound 1828902

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 237.321 | Formula: C11H15N3OS
  • H donors: 1 H acceptors: 2 LogP: 2.83 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(c(s1)c1cnc(o1)C(C)(C)C)C
  • InChi: 1S/C11H15N3OS/c1-6-8(16-10(12)14-6)7-5-13-9(15-7)11(2,3)4/h5H,1-4H3,(H2,12,14)
  • InChiKey: BCQGTEBRDWVALT-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 gamma Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica 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
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 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 phopsphatidylinositol 3-kinase, drosophila, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania infantum phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania donovani phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma 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_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 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
Trypanosoma cruzi 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
Echinococcus multilocularis phosphatidylinositol 4,5 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_127444 All targets in OG5_127444
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0092 0.1662 0.136
Toxoplasma gondii peptidase, M28 family protein 0.0053 0.0348 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0142 0.3369 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0113 0.2379 0.2379
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0348 0.0635
Toxoplasma gondii hypothetical protein 0.0053 0.0348 0.5
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0336 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0348 0.0348
Brugia malayi leucyl aminopeptidase 0.0053 0.0348 0.0208
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0092 0.1662 0.154
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0053 0.0348 0.0208
Loa Loa (eye worm) hypothetical protein 0.0053 0.0348 0.0348
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0336 1 1
Leishmania major glutaminyl cyclase, putative 0.0053 0.0348 0.5
Brugia malayi nicalin 0.0053 0.0348 0.0208
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0063 0.0672 0.1637
Loa Loa (eye worm) hypothetical protein 0.0092 0.1662 0.1662
Trypanosoma cruzi glutaminyl cyclase, putative 0.0053 0.0348 0.1034
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0097 0.1851 0.5294
Onchocerca volvulus Glutaminyl cyclase homolog 0.0336 1 1
Trypanosoma brucei glutaminyl cyclase, putative 0.0053 0.0348 1
Mycobacterium ulcerans hypothetical protein 0.0053 0.0348 0.5
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0336 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0142 0.3369 1
Loa Loa (eye worm) hypothetical protein 0.005 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0336 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0142 0.3369 0.3273
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0138 0.3226 0.9555
Trypanosoma cruzi glutaminyl cyclase, putative 0.0053 0.0348 0.1034
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0348 0.0635
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0142 0.3369 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0142 0.3369 0.3273
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0142 0.3369 0.313
Schistosoma mansoni nicalin (M28 family) 0.0053 0.0348 0.0208
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0068 0.0861 0.5
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0142 0.3369 1
Schistosoma mansoni Fxna peptidase (M28 family) 0.0053 0.0348 0.0208
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0053 0.0348 0.0208
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0348 0.0635
Entamoeba histolytica hypothetical protein 0.0113 0.2379 0.6931
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0142 0.3369 0.313
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0092 0.1662 0.136
Loa Loa (eye worm) hypothetical protein 0.0053 0.0348 0.0348
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0053 0.0348 0.0635
Mycobacterium tuberculosis Conserved protein 0.0053 0.0348 0.5
Loa Loa (eye worm) leucyl aminopeptidase 0.0053 0.0348 0.0348
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0142 0.3369 1
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0053 0.0348 0.5
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0053 0.0348 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0097 0.1851 0.5294
Leishmania major hypothetical protein, conserved 0.0053 0.0348 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0113 0.2379 0.6931
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0047 0.0144 0.0426
Brugia malayi FXNA 0.0053 0.0348 0.0208
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0142 0.3369 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0348 0.0348

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Mutagenicity in Escherichia coli WP2uvrA up to 5000 ug/ml by Ames test in absence of rat S9 fraction ChEMBL. 24262886
Activity (ADMET) Mutagenicity in Escherichia coli WP2uvrA up to 5000 ug/ml by Ames test in presence of rat S9 fraction ChEMBL. 24262886
IC50 (binding) = 81 nM Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP ChEMBL. 24262886

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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