ulixertinib

Ligand id: 9210

Name: ulixertinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 90.04
Molecular weight 432.11
XLogP 3.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyridin-4-yl]-1H-pyrrole-2-carboxamide
International Nonproprietary Names
INN number INN
9969 ulixertinib
Synonyms
BVD-523 | VRT-752271
Database Links
CAS Registry No. 869886-67-9 (source: WHO INN record)
PubChem CID 11719003
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Comments
Ulixertinib is an orally available, ATP-competitive inhibitor of the serine/threonine kinases extracellular signal-regulated kinase (ERK) 1 (MAPK3) and 2 (MAPK1), being investigated for anticancer activity in solid tumours and hematological malignancies carrying mutations in the MAPK signaling pathway, which renders them highly reliant on ERK for survival and growth. It is being developed by BioMed Valley Discoveries. This is one of the compounds claimed in patent WO2005113541 [1], where it is identified as I-9.
The INN record specifies the (1S) stereoisomer as ulixertinib.