e-Drug3D

786

cas 134308-13-7

CLASS

NERVOUS SYSTEM
ANTIPARKINSONIAN
ANTIDYSKINETICS
CATECHOL O-METHYLTRANSFERASE (COMT) INHIBITOR
DRUG IS METHYLATED BY COMT TO 3-O-METHYL-TOLCAPON

ROUTE (list)

ORAL

PK parameters

F 65 PERCENT
Tmax 2 HOUR
VD 9 LITER
Cl 7 LITER / HOUR
PPB 99.9 PERCENT
t1/2 2.5 HOUR

TARGET CATECHOL O-METHYLTRANSFERASE

PDB
5A6I (V122I TRANSTHYRETIN STRUCTURE IN COMPLEX WITH TOLCALPONE)

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

Download experimental 3D coordinates of TCW with added hydrogens

MW 273.24
NB_atoms 20
XLogP 0
PSA 97.413
NB_HD 2
NB_HA 5
fsp3 0.07
Lipinski(0=no;1=yes) 1

FDA
NDA 020697 (pdf not found) INN (TOLCAPONE) TASMAR (BAUSCH) APPROVAL= AP YEAR= 1998
NDA 204584 (pdf not found) INN (TOLCAPONE) TOLCAPONE (PH HEALTH) APPROVAL= AP YEAR= 2015 DISCONTINUED
NDA 208937 (pdf not found) INN (TOLCAPONE) TOLCAPONE (NOVAST LABS) APPROVAL= AP YEAR= 2018
NDA 210095 (pdf not found) INN (TOLCAPONE) TOLCAPONE (DR REDDYS LABS SA) APPROVAL= AP YEAR= 2019 DISCONTINUED
NDA 207729 (pdf not found) INN (TOLCAPONE) TOLCAPONE (ALVOGEN) APPROVAL= AP YEAR= 2020 DISCONTINUED