e-Drug3D

1429

ROTIGOTINE

INN
ROTIGOTINE

cas 99755-59-6

CLASS

NERVOUS SYSTEM
NON-ERGOLINE DOPAMINE AGONISTS
TREATMENT OF SIGNS AND SYMPTOMS OF PARKINSON DISEASE AND RESTLESS LEGS SYNDROME

ROUTE (list)

TRANSDERMAL

ATC code

N04BC09

PK parameters

VD 5460 LITER (65 KILOGRAM)
Cl 630 LITER / HOUR (EQN)
PPB 92 PERCENT
t1/2 6 HOUR

Target

TARGET DOPAMINE RECEPTOR

PDB
8IRT (DOPAMINE RECEPTOR D3R-GI-ROTIGOTINE COMPLEX)

Download experimental 3D coordinates of R5F with added hydrogens

D(2) dopamine receptor UNIPROT P14416 DRD2

Download SDF file

1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-, (6S)-

Formula:
C19H25NOS

Calculated chemical properties:

MW 315.47
NB_atoms 22
XLogP 4.27
PSA 25.488
NB_HD 1
NB_HA 2
fsp3 0.47
Lipinski(0=no;1=yes) 1

FDA
NDA 021829 (label) INN (ROTIGOTINE) NEUPRO (UCB INC) APPROVAL= AP YEAR= 2007 NEWMOLECULARENTITY