e-Drug3D

1721

SUVOREXANT

INN
SUVOREXANT

cas 1030377-33-3

CLASS

NERVOUS SYSTEM
TREATMENT OF INSOMNIA
OREXIN RECEPTOR ANTAGONIST

ROUTE (list)

ORAL

ATC code

N05CJ01

PK parameters

F 82 PERCENT
Tmax 2 HOUR
VD 49 LITER
Cl 2.8 LITER / HOUR (EQN)
PPB 99 PERCENT
t1/2 12 HOUR

Solubility

INSOLUBLE IN WATER

Target

TARGET OREXIN RECEPTOR OX1R
OREXIN RECEPTOR OX2R

PDB
OBSOLETE (- 4RNB CRYSTAL STRUCTURE OF THE HUMAN OX2 OREXIN RECEPTOR BOUND TO THE INSOMNIA DRUG SUVOREXANT)

Download experimental 3D coordinates of SUV with added hydrogens

Orexin receptor type 1 UNIPROT O43613 HCRTR1

Orexin receptor type 2 UNIPROT O43614 HCRTR2

Download SDF file

Methanone, [(7R)-4-(5-chloro-2-benzoxazolyl)hexahydro-7-methyl-1H-1,4-diazepin-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]-

Formula:
C23H23ClN6O2

Calculated chemical properties:

MW 450.92
NB_atoms 32
XLogP 4.11
PSA 64.361
NB_HD 0
NB_HA 8
fsp3 0.30
Lipinski(0=no;1=yes) 1

FDA
NDA 204569 (label) INN (SUVOREXANT) BELSOMRA (MERCK SHARP DOHME) APPROVAL= AP YEAR= 2014 NEWMOLECULARENTITY