e-Drug3D

1902

CANNABIDIOL

INN
CANNABIDIOL

cas 13956-29-1

CLASS

NERVOUS SYSTEM
TREATMENT OF SEIZURES ASSOCIATED WITH LENNOX-GASTAUT SYNDROME OR DRAVET SYNDROME
ANTICONVULSANT
AGONIST OF CANNABINOID (CB) RECEPTORS

ROUTE (list)

ORAL

NATURAL MOLECULE (link)

ATC code

N03AX24

PK parameters

Tmax 3.75 HOUR
VD 31906 LITER
Cl 1111 LITER / HOUR
PPB 94 PERCENT
t1/2 58.5 HOUR

Solubility

INSOLUBLE IN WATER

Target

TARGET CANNABINOID RECEPTOR

PDB
6U8A (CBD-BOUND FULL-LENGTH RAT TRPV2 IN NANODISCS, STATE 1)

Download experimental 3D coordinates of P0T with added hydrogens

Transient receptor potential cation channel subfamily V member 1 UNIPROT Q8NER1 TRPV1

G-protein coupled receptor 55 UNIPROT Q9Y2T6 GPR55

Download SDF file

1,3-Benzenediol, 2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-

Formula:
C21H30O2

Calculated chemical properties:

MW 314.45
NB_atoms 23
XLogP 5.85
PSA 37.613
NB_HD 2
NB_HA 2
fsp3 0.52
Lipinski(0=no;1=yes) 0

FDA
NDA 210365 (pdf not found) INN (CANNABIDIOL) EPIDIOLEX (JAZZ PHARMS RES) APPROVAL= AP YEAR= 2018