Detailed information for compound 500303

Basic information

Technical information
  • TDR Targets ID: 500303
  • Name: 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl) pyrazolo[1,5-a]pyrimidin-7-amine
  • MW: 343.425 | Formula: C21H21N5
  • H donors: 1 H acceptors: 3 LogP: 3.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1cnn2c1nc(cc2NCc1cccnc1)c1ccccc1)C
  • InChi: 1S/C21H21N5/c1-15(2)18-14-24-26-20(23-13-16-7-6-10-22-12-16)11-19(25-21(18)26)17-8-4-3-5-9-17/h3-12,14-15,23H,13H2,1-2H3
  • InChiKey: ZKIHCRRMROTOGY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-isopropyl-5-phenyl-N-(3-pyridylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
  • 3-isopropyl-5-phenyl-N-(3-pyridylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine
  • (3-isopropyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-(3-pyridylmethyl)amine
  • 5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,1-b]pyrimidin-7-amine
  • 3-isopropyl-5-phenyl-N-(3-pyridylmethyl)pyrazolo[5,1-b]pyrimidin-7-amine
  • 3-isopropyl-5-phenyl-N-(3-pyridylmethyl)-7-pyrazolo[5,1-b]pyrimidinamine
  • (3-isopropyl-5-phenyl-pyrazolo[5,1-b]pyrimidin-7-yl)-(3-pyridylmethyl)amine

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.3469 0.5
Brugia malayi intracellular kinase 0.0058 0.3469 1
Onchocerca volvulus 0.0058 0.3469 1
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.3469 0.5
Echinococcus granulosus protein kinase shaggy 0.0058 0.3469 0.3469
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2067 0.2067
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0058 0.3469 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2067 0.2067
Plasmodium falciparum glycogen synthase kinase 3 0.0058 0.3469 0.5
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0058 0.3469 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0058 0.3469 0.5
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0058 0.3469 0.5
Entamoeba histolytica protein kinase, putative 0.0058 0.3469 0.5
Giardia lamblia Kinase, CMGC GSK 0.0058 0.3469 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0123 1 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0058 0.3469 0.3975
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2067 0.2368
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2067 0.2067
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0058 0.3469 0.3469
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2067 0.2067
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.2067 0.5959
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.011 0.8727 1
Giardia lamblia Kinase, CMGC GSK 0.0058 0.3469 0.5
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0058 0.3469 0.5
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0058 0.3469 1
Trypanosoma brucei protein kinase, putative 0.0058 0.3469 0.5
Echinococcus multilocularis protein kinase shaggy 0.0058 0.3469 0.3975
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0058 0.3469 0.3469
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2067 0.2067
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2067 0.2368
Plasmodium vivax glycogen synthase kinase 3, putative 0.0058 0.3469 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0058 0.3469 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.2067 0.5959

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.37 uM Inhibition of human CDK2/cyclin A ChEMBL. 17904841

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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