Ligand id: 5890

Name: ponatinib

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 65.77
Molecular weight 532.22
XLogP 5.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Compound class Synthetic organic
Approved drug? Yes (FDA (2012), EMA (2013))
International Nonproprietary Names
INN number INN
9362 ponatinib
AP24534 | Iclusig®
Ponatinib is a Type-1 kinase inhibitor. It is a third 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, collectively referred to as arterial occlusive events, or AOEs). Final 5-year results of safety and efficacy in Ph+ leukemia as evaluated in NCT01207440 are reported by Cortes et al. (2018) [1].
Marketed formulations contain ponatinib hydrochloride (PubChem CID 46908927).
Ponatinib has also been reported as a dual inhibitor of RIPK1 and RIPK3 which inhibits experimental models of RIPK1- and RIPK3-dependent cell death (necroptosis) [5]. On the basis of these findings, hybrid ponatinib/necrostatin-1 (a RIPK1 and IDO inhibitor) were designed and tested for potential to target RIPK1- and RIPK3-driven inflammatory pathologies.
Database Links
CAS Registry No. 943319-70-8 (source: SciFinder)
ChEBI CHEBI:749637
ChEMBL Ligand CHEMBL1171837
GtoPdb PubChem SID 178102513
PubChem CID 24826799
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Wikipedia Ponatinib

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AP 24534
Cat. No. 4274