pexmetinib

Ligand id: 9917

Name: pexmetinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 105.71
Molecular weight 556.26
XLogP 5.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[[5-fluoro-2-[1-(2-hydroxyethyl)indazol-5-yl]oxyphenyl]methyl]urea
International Nonproprietary Names
INN number INN
9859 pexmetinib
Synonyms
ARRY-614 | ARRY614
Comments
Pexmetinib is an orally bioavailable small-molecule inhibitor of p38 MAPK (β isoforms) and Tie2 kinases [2]. It is a type 2 kinase inhibitor that binds both Tie2 and p38 MAP kinases in the "DFG-out" conformation. p38 MAPK is a proinflammatory kinase, Tie2 is an endothelial cell specific receptor tyrosine kinase and is the receptor for angiopoietin-1. Concomitant inhibition of these kinases is predicted to produce antineoplastic, anti-inflammatory and antiangiogenic effects that would provide a novel anti-cancer therapeutic, in particular for the treatment of myelodysplastic syndromes (MDS) [1,4] and acute myeloid leukemia (AML).
Database Links
CAS Registry No. 945614-12-0 (source: WHO INN record)
GtoPdb PubChem SID 363894211
PubChem CID 24765037
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