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

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Palbociclib acts via inhibition of CDK4/6 to dose-dependently reduce phosphorylation of the retinoblastoma protein (Rb) with an IC50 of 30nM [13] in both MV4-11 and MOLM13 acute myelocytic leukemia (AML) cell lines.
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
cyclin dependent kinase 4 Inhibitor Inhibition 8.0 pIC50 - 7
pIC50 8.0 (IC50 1.1x10-8 M) [7]
cyclin dependent kinase 6 Inhibitor Inhibition 7.8 pIC50 - 7
pIC50 7.8 (IC50 1.6x10-8 M) [7]