PP121

Ligand id: 8013

Name: PP121

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 98.3
Molecular weight 319.15
XLogP 1.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
Synonyms
PP 121 | PP-121
Database Links
CAS Registry No. 1092788-83-4
ChEBI CHEBI:50915
ChEMBL Ligand CHEMBL1081312
DrugBank Ligand DB08052
PubChem CID 24905142
RCSB PDB Ligand KS1, 9HE
Search Google for chemical match using the InChIKey NVRXTLZYXZNATH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NVRXTLZYXZNATH
Search UniChem for chemical match using the InChIKey NVRXTLZYXZNATH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NVRXTLZYXZNATH
SynPHARM 80998 (in complex with HCK proto-oncogene, Src family tyrosine kinase)
Comments
PP121 is a multi-targeted kinase inhibitor, discovery of which is described in [1], where it is compound 6. It is designed to target tyrosine kinases and phosphatidylinositol-3 kinases (PI3Ks), a set of interconnected oncogenes, that are of intense interest as molecular targets in the drug discovery process.