e-Drug3D

1877

COCAINE

INN
COCAINE

cas 50-36-2

CLASS

NERVOUS SYSTEM
ESTER LOCAL ANESTHETIC
LOCAL ANESTHESIA OF THE MUCOUS MEMBRANES OF THE NASAL CAVITIES
REVERSIBLY BLOCKING SODIUM CHANNELS

ROUTE (list)

NASAL

NATURAL MOLECULE (link)

ATC code

N01BC01
R02AD03
S01HA01
S02DA02

PK parameters

Tmax 0.42 HOUR
Cmax 142.4 NANOMOLAR
VD 3877 LITER
Cl 3096 LITER / HOUR
PPB 88 PERCENT
t1/2 1.3 HOUR

Target

TARGET SODIUM CHANNELS

PDB
1Q72 (ANTI-COCAINE ANTIBODY M82G2 COMPLEXED WITH COCAINE)

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

Download experimental 3D coordinates of COC with added hydrogens

DrugCentral

Sodium-dependent dopamine transporter UNIPROT Q01959 SLC6A3

Download SDF file

8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2R,3S,5S)-

Formula:
C17H21NO4

Calculated chemical properties:

MW 303.35
NB_atoms 22
XLogP 1.87
PSA 51.498
NB_HD 0
NB_HA 5
fsp3 0.53
Lipinski(0=no;1=yes) 1

FDA
NDA 209963 (label) INN (COCAINE HYDROCHLORIDE) GOPRELTO (LXO IRELAND) APPROVAL= AP YEAR= 2017
NDA 209575 (label) INN (COCAINE HYDROCHLORIDE) NUMBRINO (OMNIVIUM PHARMS) APPROVAL= AP YEAR= 2020