Detailed information for compound 1507728

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.421 | Formula: C21H19N7O2
  • H donors: 2 H acceptors: 6 LogP: 2.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ncc(cn1)c1cc(Nc2cnc3c(c2)cccc3)nc(n1)N1CCOCC1
  • InChi: 1S/C21H19N7O2/c29-21-23-11-15(12-24-21)18-10-19(27-20(26-18)28-5-7-30-8-6-28)25-16-9-14-3-1-2-4-17(14)22-13-16/h1-4,9-13H,5-8H2,(H,23,24,29)(H,25,26,27)
  • InChiKey: PIIRYJPFVYQGQB-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 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trichomonas vaginalis phosphatidylinositol 3-kinase class, 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
Echinococcus granulosus phosphatidylinositol 45 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
Entamoeba histolytica 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
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, 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
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 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
Leishmania infantum phosphatidylinositol 3-kinase 2, 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
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
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, 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
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 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
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 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
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.178 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0194 0.8584 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.1291 0.2731
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.006 0.0023
Trypanosoma cruzi cAMP response protein 1, putative 0.0026 0.0037 0.0078
Echinococcus granulosus voltage gated potassium channel 0.0056 0.159 0.1558
Trypanosoma cruzi cAMP binding protein, putative 0.0026 0.0037 0.0078
Brugia malayi N-terminal motif family protein 0.0026 0.0037 0.0043
Onchocerca volvulus 0.0026 0.0037 0.5
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0038 0.0685 0.065
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0038 0.0685 0.078
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.0026 0.0037 0.0208
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.1291 0.147
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0056 0.159 0.1558
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0118 0.4725 0.5935
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.178 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0194 0.8584 0.8579
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1235 0.1439
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0077 0.2615 0.2588
Loa Loa (eye worm) hypothetical protein 0.0026 0.0037 0.0042
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.178 0.1749
Treponema pallidum cyclic nucleotide binding protein 0.0026 0.0037 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0036 0.0563 0.0641
Loa Loa (eye worm) hypothetical protein 0.0038 0.0685 0.078
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0026 0.0037 0.0043
Loa Loa (eye worm) hypothetical protein 0.0169 0.7284 0.8299
Schistosoma mansoni hypothetical protein 0.0034 0.0445 0.0409
Giardia lamblia Kinase, CMGC MAPK 0.005 0.1291 0.7886
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.4548 0.9555
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.0026 0.0037 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0056 0.159 0.1558
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.1291 0.2731
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.1291 0.2731
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.1291 0.725
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.0685 0.065
Treponema pallidum catabolite gene activator (Crp) 0.0026 0.0037 0.5
Leishmania major regulatory subunit of protein kinase a-like protein 0.0026 0.0037 0.0208
Plasmodium falciparum cAMP-dependent protein kinase regulatory subunit 0.0026 0.0037 0.616
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.1291 0.725
Leishmania major hypothetical protein, unknown function 0.0026 0.0037 0.0208
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.1291 0.2731
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0104 0.4011 0.4673
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0118 0.4725 1
Loa Loa (eye worm) AGC/PKG protein kinase 0.0026 0.006 0.0069
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0081 0.285 0.3561
Loa Loa (eye worm) phosphatidylinositol 3 0.0198 0.8777 1
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0026 0.0037 0.0043
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0077 0.2615 0.2588
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0026 0.006 0.0023
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0026 0.0037 0.0042
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0026 0.006 0.0338
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0038 0.0685 0.065
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.1291 0.1258
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0056 0.159 0.1852
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0685 0.082
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0052 0.1392 0.1637
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0118 0.4725 0.5935
Echinococcus multilocularis hyperpolarization activated cyclic 0.0038 0.0685 0.065
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0445 0.0518
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.004 0.074 0.0705
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0026 0.0037 0.0078
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0038 0.0685 0.065
Entamoeba histolytica hypothetical protein 0.0094 0.3502 0.6931
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0077 0.2615 0.3047
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0026 0.0037 0.0287
Brugia malayi Cyclic-nucleotide gated cation channel 0.0038 0.0685 0.0798
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.006 0.0023
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.0026 0.0037 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0118 0.4725 0.5935
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.1291 1
Echinococcus granulosus cGMP dependent protein kinase 1 0.0026 0.006 0.0023
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0182 0.7936 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1235 0.1407
Trypanosoma brucei protein kinase A regulatory subunit 0.0026 0.0037 0.0287
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0081 0.285 0.3561
Treponema pallidum catabolite gene activator 0.0026 0.0037 0.5
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0057 0.1627 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0194 0.8584 0.9781
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.0685 0.065
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1291 0.1587
Leishmania major hypothetical protein, conserved 0.0026 0.0037 0.0208
Echinococcus multilocularis expressed conserved protein 0.0026 0.006 0.0023
Schistosoma mansoni voltage-gated potassium channel 0.0212 0.9489 0.9487
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0026 0.0037 0.0043
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.1291 0.725
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0038 0.0685 0.065
Leishmania major protein kinase, putative 0.0026 0.006 0.0338
Trypanosoma cruzi protein kinase A regulatory subunit 0.0026 0.0037 0.0078
Trypanosoma brucei protein kinase, putative 0.005 0.1291 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0028 0.0137 0.0629
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0118 0.4725 1
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0026 0.0037 0.0208
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.178 0.1749
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1291 0.1587
Trypanosoma cruzi cAMP response protein 1 0.0026 0.0037 0.0078
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0038 0.0685 0.065
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1291 0.1587
Loa Loa (eye worm) hypothetical protein 0.0056 0.159 0.1811
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0118 0.4725 1
Schistosoma mansoni voltage-gated potassium channel 0.0212 0.9489 0.9487
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.004 0.074 0.089
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.178 1
Leishmania major protein kinase, putative 0.0026 0.006 0.0338
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.178 0.1749
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.0289 0.0253
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0038 0.0685 0.065
Schistosoma mansoni 60S ribosomal protein L21 0.0031 0.0289 0.0253
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0685 0.082
Echinococcus granulosus cGMP dependent protein kinase 1 0.0026 0.006 0.0023
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0026 0.006 0.0023
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0038 0.0685 0.065
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1291 0.1587
Leishmania major hypothetical protein, conserved 0.0026 0.0037 0.0208
Loa Loa (eye worm) hypothetical protein 0.0034 0.0445 0.0507
Mycobacterium leprae Conserved hypothetical protein 0.0026 0.0037 0.5
Treponema pallidum cyclic nucleotide binding protein 0.0026 0.0037 0.5
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0026 0.0037 0.0208
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.006 0.0023
Leishmania major cyclic nucleotide-binding protein-like protein 0.0026 0.0037 0.0208
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0026 0.0037 0.5
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0038 0.0685 0.078
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.178 1
Trypanosoma brucei cAMP response protein 1, putative 0.0026 0.0037 0.0287
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.004 0.074 0.089
Echinococcus multilocularis hyperpolarization activated cyclic 0.0038 0.0685 0.065
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0194 0.8584 0.8579
Loa Loa (eye worm) hypothetical protein 0.0077 0.2615 0.298
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.004 0.074 0.089
Leishmania major hypothetical protein, conserved 0.0026 0.0037 0.0208
Trypanosoma cruzi cyclic nucleotide-binding domain containing protein, putative 0.0026 0.0037 0.0078
Echinococcus multilocularis voltage gated potassium channel 0.0056 0.159 0.1558
Plasmodium falciparum cGMP-dependent protein kinase 0.0026 0.006 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0847 0.0964
Echinococcus granulosus cGMP dependent protein kinase 0.0026 0.006 0.0023
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0182 0.7936 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.178 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0036 0.0563 0.1191
Trypanosoma brucei Flagellar Member 6 0.0026 0.0037 0.0287
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.0685 0.065
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0026 0.0037 0.0287
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0094 0.3502 0.6931
Trypanosoma brucei cAMP binding protein, putative 0.0026 0.0037 0.0287
Echinococcus granulosus mitogen activated protein kinase 0.005 0.1291 0.1258
Leishmania major protein kinase A regulatory subunit, putative 0.0026 0.0037 0.0208
Brugia malayi MAP kinase sur-1 0.005 0.1291 0.1503
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0038 0.0685 0.065
Echinococcus granulosus hyperpolarization activated cyclic 0.0038 0.0685 0.065
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.159 0.1558
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.1291 0.1258
Schistosoma mansoni voltage-gated potassium channel 0.0038 0.0685 0.065
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0038 0.0685 0.065
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.004 0.074 0.1566
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.1291 0.1258
Loa Loa (eye worm) hypothetical protein 0.0026 0.0037 0.0042
Trypanosoma cruzi Flagellar Member 6 0.0026 0.0037 0.0078
Echinococcus granulosus hyperpolarization activated cyclic 0.0038 0.0685 0.065
Schistosoma mansoni serine/threonine protein kinase 0.005 0.1291 0.1258
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0026 0.0037 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.004 0.074 0.0862
Loa Loa (eye worm) hypothetical protein 0.0049 0.1235 0.1407
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0118 0.4725 0.5504
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.004 0.074 0.5733
Brugia malayi Egg laying defective protein 4 0.0026 0.006 0.007
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.159 0.1558
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0037 0.0078
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1235 0.1439
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.178 1
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0026 0.0037 0.0208
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.178 0.1749
Onchocerca volvulus 0.0026 0.0037 0.5
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0026 0.0037 0.0208
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0026 0.0037 0.0078

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.774 uM Inhibition of PI3Kalpha after 15 mins ChEMBL. 24900252

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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