ponatinib

Ligand id: 5890

Name: ponatinib

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: ponatinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 65.77
Molecular weight 532.22
XLogP 6.33
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Comparison of target residency time (τ) and biochemical IC50 values for ponatinib vs. 10 kinases reveals an alternative selectivity profile. Among the kinases inhibited with similar potency to ABL, wide differences in τ were detected: TIE2 6 min, DDR2, FGFR1, FYN and SRC ~2-3 hours, ABL 180 hours [5].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
cyclin dependent kinase 8 Hs Inhibitor Inhibition 8.2 pKd - 2
pKd 8.2 (Kd 6.77x10-9 M) [2]
Description: CDK8/cyclin C.
cyclin dependent kinase 19 Hs Inhibitor Inhibition 7.9 pKd - 2
pKd 7.9 (Kd 1.19x10-8 M) [2]
Description: CDK19/cyclin C.
ABL proto-oncogene 1, non-receptor tyrosine kinase Hs Inhibitor Inhibition 8.1 pIC50 - 3
pIC50 8.1 (IC50 8.6x10-9 M) [3]
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
ret proto-oncogene Hs Inhibitor Inhibition 8.2 pIC50 - 4
pIC50 8.2 (IC50 7x10-9 M) [4]