palbociclib

Ligand id: 7380

Name: palbociclib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 103.35
Molecular weight 447.24
XLogP 1.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2015), EMA (2016))
IUPAC Name
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[6,5-d]pyrimidin-7-one
International Nonproprietary Names
INN number INN
9802 palbociclib
Synonyms
Ibrance® | PD-0332991 | PD0332991
Database Links
CAS Registry No. 571190-30-2 (source: SciFinder)
ChEMBL Ligand CHEMBL189963
GtoPdb PubChem SID 178103952
PubChem CID 5330286
RCSB PDB Ligand LQQ
Search Google for chemical match using the InChIKey AHJRHEGDXFFMBM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AHJRHEGDXFFMBM
Search PubMed clinical trials palbociclib
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Search UniChem for chemical match using the InChIKey AHJRHEGDXFFMBM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AHJRHEGDXFFMBM
SynPHARM 79368 (in complex with cyclin dependent kinase 6)
Wikipedia Palbociclib
Comments
Palbociclib is a selective inhibitor of the cyclin-dependent kinases CDK4 and CDK6 [6-7,12]. This kinase inhibitor has anti-tumour activity in several tumour models [6-7,9,13-14].
The pharmaceutical formulation contains palbociclib isethionate (PubChem CID 11478676).