ponatinib

Ligand id: 5890

Name: ponatinib

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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

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2012), EMA (2013))
IUPAC Name
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
International Nonproprietary Names
INN number INN
9362 ponatinib
Synonyms
AP24534 | Iclusig®
Database Links
CAS Registry No. 943319-70-8 (source: SciFinder)
ChEBI CHEBI:749637
ChEMBL Ligand CHEMBL1171837
PubChem CID 24826799
RCSB PDB Ligand 0LI
Search Google for chemical match using the InChIKey PHXJVRSECIGDHY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PHXJVRSECIGDHY
Search PubMed clinical trials ponatinib
Search PubMed titles ponatinib
Search PubMed titles/abstracts ponatinib
Search UniChem for chemical match using the InChIKey PHXJVRSECIGDHY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PHXJVRSECIGDHY
Wikipedia Ponatinib
Comments
Ponatinib is a Type-1 kinase inhibitor. It is a thrid generation BCR-Abl inhibitor. Use of ponatinib is subject to additional monitoring due to the observed serious risk of liver problems or blood clots (including heart attack and stroke).
Marketed formulations contain ponatinib hydrochloride (PubChem CID 46908927).