e-Drug3D

1966

OPICAPONE

INN
OPICAPONE

cas 923287-50-7

CLASS

NERVOUS SYSTEM
A CATECHOL-O-METHYLTRANSFERASE (COMT) INHIBITOR
TREATMENT OF PARKINSON’S DISEASE (PD)

ROUTE (list)

ORAL

ATC code

N04BX04

PK parameters

Tmax 2 HOUR
PPB 99 PERCENT
t1/2 1.5 HOUR

Solubility

LIMITED AQUEOUS SOLUBILITY

Target

TARGET CATECHOL-O-METHYLTRANSFERASE (COMT)

PDB
7XJB (RAT-COMT, OPICAPONE,SAM AND MG BOND)

Download experimental 3D coordinates of DNI with added hydrogens

Catechol O-methyltransferase UNIPROT P21964 COMT

Download SDF file

1,2-Benzenediol, 5-[3-(2,5-dichloro-4,6-dimethyl-1-oxido-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro-

Formula:
C15H10Cl2N4O6

Calculated chemical properties:

MW 413.17
NB_atoms 27
XLogP 3.28
PSA 136.74
NB_HD 2
NB_HA 8
fsp3 0.13
Lipinski(0=no;1=yes) 1

FDA
NDA 212489 (label) INN (OPICAPONE) ONGENTYS (AMNEAL) APPROVAL= AP YEAR= 2020 NEWMOLECULARENTITY