pimasertib

Ligand id: 7872

Name: pimasertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 94.48
Molecular weight 431.01
XLogP 1.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
International Nonproprietary Names
INN number INN
9498 pimasertib
Synonyms
AS-703026 | AS703026 | MSC1936369B
Database Links
CAS Registry No. 1236699-92-5
ChEMBL Ligand CHEMBL2107832
PubChem CID 44187362
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Comments
Pimasertib is an orally bioavailable small-molecule inhibitor of the mitogen-activated protein kinases MEK1 and MEK2 (MEK1/2) with potential antineoplastic activity [4]. It binds to an allosteric site, distinct from the ATP binding site [2] and as such prevents activation rather than inhibiting catalysis.