opicapone

Ligand id: 8988

Name: opicapone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 128.64
Molecular weight 412
XLogP 2.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4Z)-4-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one
International Nonproprietary Names
INN number INN
9268 opicapone
Synonyms
BIA 9-1067 | compound 37d [PMID: 20334432] [2]
Database Links
CAS Registry No. 923287-50-7
PubChem CID 76966913
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Comments
Opicapone is a novel third generation, long-acting catechol-O-methyltransferase (COMT) inhibitor [2], being investigated for its ability to reduce peripheral degradation of levodopa in Parkinson's disease therapy.