entacapone

Ligand id: 6647

Name: entacapone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 127.7
Molecular weight 305.1
XLogP 2.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1999), EMA (1998))
IUPAC Name
(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
International Nonproprietary Names
INN number INN
6812 entacapone
Synonyms
Comtan® | OR-611
Database Links
CAS Registry No. 130929-57-6
ChEMBL Ligand CHEMBL953
DrugBank Ligand DB00494
PubChem CID 5281081
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Wikipedia Entacapone
Comments
Entacapone inhibits catechol O-methyltransferase (COMT).