e-Drug3D

803

ENTACAPONE


INN
ENTACAPONE

cas 130929-57-6
CLASS

NERVOUS SYSTEM
ANTIPARKINSONIAN
ANTIDYSKINETICS
TREATMENT OF PARKINSON’S DISEASE

ROUTE (list)

ORAL

ATC code

N04BX02

PK parameters

F 35 PERCENT
Tmax 1 HOUR
VD 20 LITER
Cl 51 LITER / HOUR
PPB 98 PERCENT
t1/2 0.9 HOUR

Solubility

SLIGHTLY SOLUBLE IN WATER


Target

TARGET CATECHOL O-METHYLTRANSFERASE (COMT)

PDB
6AK4 (CRYSTAL STRUCTURE OF HUMAN FTO IN COMPLEX WITH SMALL-MOLECULE INHIBITORS)

Ligand code = PD9 (link to the list of PDB complexes)

Download experimental 3D coordinates of PD9 with added hydrogens

DrugCentral

Catechol O-methyltransferase UNIPROT P21964 COMT

Download SDF file (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide

Formula:
C14H15N3O5

Calculated chemical properties:

MW 305.29
NB_atoms 22
XLogP 0
PSA 113.83
NB_HD 2
NB_HA 7
fsp3 0.29
Lipinski(0=no;1=yes) 1

FDA
NDA 020796 (label) INN (ENTACAPONE) COMTAN (ORION PHARMA) APPROVAL= AP YEAR= 1999 NEWMOLECULARENTITY
NDA 021485 (label) INN (CARBIDOPA ; ENTACAPONE ; LEVODOPA) STALEVO 50 (ORION PHARMA) APPROVAL= AP YEAR= 2003
NDA 079085 (pdf not found) INN (CARBIDOPA ; ENTACAPONE ; LEVODOPA) CARBIDOPA, LEVODOPA AND ENTACAPONE (SUN PHARM) APPROVAL= AP YEAR= 2012
NDA 078941 (pdf not found) INN (ENTACAPONE) ENTACAPONE (WOCKHARDT BIO AG) APPROVAL= AP YEAR= 2012
NDA 090690 (pdf not found) INN (ENTACAPONE) ENTACAPONE (SUN PHARM) APPROVAL= AP YEAR= 2012
NDA 090786 (pdf not found) INN (CARBIDOPA ; ENTACAPONE ; LEVODOPA) CARBIDOPA, LEVODOPA AND ENTACAPONE (WOCKHARDT LTD) APPROVAL= AP YEAR= 2012 DISCONTINUED
NDA 090833 (pdf not found) INN (CARBIDOPA ; ENTACAPONE ; LEVODOPA) CARBIDOPA, LEVODOPA AND ENTACAPONE (WOCKHARDT LTD) APPROVAL= AP YEAR= 2012 DISCONTINUED
NDA 202394 (pdf not found) INN (ENTACAPONE) ENTACAPONE (PHARMOBEDIENT) APPROVAL= AP YEAR= 2013 DISCONTINUED
NDA 203437 (pdf not found) INN (ENTACAPONE) ENTACAPONE (AUROBINDO PHARMA LTD) APPROVAL= AP YEAR= 2015
NDA 207210 (pdf not found) INN (ENTACAPONE) ENTACAPONE (MACLEODS PHARMS LTD) APPROVAL= AP YEAR= 2017
NDA 205792 (pdf not found) INN (ENTACAPONE) ENTACAPONE (AJANTA PHARMA LTD) APPROVAL= AP YEAR= 2017
NDA 206669 (pdf not found) INN (ENTACAPONE) ENTACAPONE (SUNSHINE) APPROVAL= AP YEAR= 2018
NDA 203424 (pdf not found) INN (CARBIDOPA ; ENTACAPONE ; LEVODOPA) CARBIDOPA, LEVODOPA AND ENTACAPONE (MYLAN) APPROVAL= AP YEAR= 2020 DISCONTINUED
NDA 212601 (pdf not found) INN (ENTACAPONE) ENTACAPONE (ALEMBIC) APPROVAL= AP YEAR= 2022
NDA 213212 (pdf not found) INN (CARBIDOPA ; ENTACAPONE ; LEVODOPA) CARBIDOPA, LEVODOPA AND ENTACAPONE (RISING) APPROVAL= AP YEAR= 2022
NDA 214495 (pdf not found) INN (CARBIDOPA ; ENTACAPONE ; LEVODOPA) CARBIDOPA, LEVODOPA AND ENTACAPONE (MACLEODS PHARMS LTD) APPROVAL= AP YEAR= 2025

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL