Detailed information for compound 1253056

Basic information

Technical information
  • TDR Targets ID: 1253056
  • Name: N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-yl pyrazolo[4,5-e]pyrimidin-4-amine
  • MW: 338.407 | Formula: C18H22N6O
  • H donors: 1 H acceptors: 3 LogP: 3.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)Nc1nc(nc2c1cnn2C)N1CCCCC1
  • InChi: 1S/C18H22N6O/c1-23-17-15(12-19-23)16(20-13-7-6-8-14(11-13)25-2)21-18(22-17)24-9-4-3-5-10-24/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,21,22)
  • InChiKey: OPURUIYEXHFPGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-methoxyphenyl)-1-methyl-6-(1-piperidyl)pyrazolo[4,5-e]pyrimidin-4-amine
  • N-(3-methoxyphenyl)-1-methyl-6-(1-piperidyl)-4-pyrazolo[4,5-e]pyrimidinamine
  • (3-methoxyphenyl)-(1-methyl-6-piperidino-pyrazolo[4,5-e]pyrimidin-4-yl)amine
  • N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-yl-pyrazolo[4,5-e]pyrimidin-4-amine

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
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 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
Entamoeba histolytica phosphatidylinositol 3-kinase 1, 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 phosphatidylinositol 3-kinase class, 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
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
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
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, 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 infantum phosphatidylinositol 3-kinase 2, putative 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
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 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
Trichomonas vaginalis phosphatidylinositol kinase, 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
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, 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
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0094 0.1039 0.6931
Trypanosoma brucei prolyl endopeptidase 0.0045 0.0099 0.0346
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0057 0.0333 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0565 1 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.019 0.2862 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0565 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0118 0.1498 0.1498
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0045 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0077 0.0705 0.0668
Loa Loa (eye worm) prolyl oligopeptidase 0.0045 0.0099 0.0059
Loa Loa (eye worm) hypothetical protein 0.0045 0.0099 0.0059
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0045 0.0099 0.0346
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0045 0.0099 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.019 0.2862 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0565 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0077 0.0705 0.0705
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0118 0.1498 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0045 0.0099 0.0661
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0104 0.123 0.123
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.019 0.2862 1
Trypanosoma cruzi oligopeptidase b 0.0045 0.0099 0.0346
Entamoeba histolytica hypothetical protein 0.0094 0.1039 0.6931
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.019 0.2862 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0118 0.1498 0.5235
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0222 0.3482 0.3482
Trypanosoma brucei prolyl oligopeptidase, putative 0.0045 0.0099 0.0346
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0045 0.0099 0.0661
Brugia malayi prolyl oligopeptidase family protein 0.0045 0.0099 0.0099
Brugia malayi prolyl oligopeptidase family protein 0.0045 0.0099 0.0099
Entamoeba histolytica prolyl oligopeptidase family protein 0.0045 0.0099 0.0661
Mycobacterium tuberculosis Probable peptidase 0.0045 0.0099 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0045 0.0099 0.0661
Echinococcus multilocularis Dipeptidyl peptidase 9 0.019 0.2862 0.2791
Echinococcus granulosus Dipeptidyl peptidase 9 0.019 0.2862 0.2791
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0118 0.1498 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0565 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0118 0.1498 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0045 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0045 0.0099 0.0059
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0045 0.0099 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0198 0.3022 0.2994
Loa Loa (eye worm) hypothetical protein 0.0045 0.0099 0.0059
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.019 0.2862 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0099 0.0661
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0081 0.0793 0.5294
Brugia malayi hypothetical protein 0.0145 0.201 0.201
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0045 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0145 0.201 0.1978
Trypanosoma brucei oligopeptidase b 0.0045 0.0099 0.0346
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0118 0.1498 0.5235
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0045 0.0099 0.0346
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.019 0.2862 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0045 0.0099 0.0661
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0052 0.0245 0.1637
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0045 0.0099 0.0099
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0222 0.3482 0.3416
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0118 0.1498 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0077 0.0705 0.0612
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0045 0.0099 0.5
Trypanosoma cruzi prolyl endopeptidase 0.0045 0.0099 0.0346
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0222 0.3482 0.3416
Trypanosoma cruzi oligopeptidase b 0.0045 0.0099 0.0346
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0045 0.0099 0.0346
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0565 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0099 0.0346
Brugia malayi prolyl oligopeptidase family protein 0.0045 0.0099 0.0099
Plasmodium falciparum peptidase, putative 0.0045 0.0099 0.5
Brugia malayi prolyl oligopeptidase family protein 0.019 0.2862 0.2862
Entamoeba histolytica hypothetical protein, conserved 0.0045 0.0099 0.0661
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0045 0.0099 0.0661
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0045 0.0099 0.0346
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0099 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.019 0.2862 0.2862
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.1432 0.9555
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0077 0.0705 0.0612
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0081 0.0793 0.5294
Entamoeba histolytica prolyl oligopeptidase family protein 0.0045 0.0099 0.0661
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0099 0.0346

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.359 uM Inhibition of PI3Kalpha ChEMBL. 20822905

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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