e-Drug3D

2041

DARIDOREXANT

INN
DARIDOREXANT

cas 1505484-82-1

CLASS

NERVOUS SYSTEM
OREXIN RECEPTOR ANTAGONIST
TREATMENT OF INSOMNIA
OREXIN-1 RECEPTOR (KI=0.47 NANOMOLAR) OREXIN-2 RECEPTOR (KI=0.93 NANOMOLAR)

ROUTE (list)

ORAL

ATC code

N05CJ03

PK parameters

F 62 PERCENT
Tmax 1.5 HOUR
VD 31 LITER
PPB 99.7 PERCENT
t1/2 8 HOUR

Solubility

VERY SLIGHTLY SOLUBLE IN WATER

Target

TARGET OREXIN-1 RECEPTOR (OX1R)
OREXIN-2 RECEPTOR (OX2R)

PDB
6TP3 (CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH DARIDOREXANT)

Download experimental 3D coordinates of NS2 with added hydrogens

Orexin Hypocretin receptor type 1 UNIPROT O43613 HCRTR1

Orexin receptor type 2 UNIPROT O43614 HCRTR2

Download SDF file

Methanone, [(2S)-2-(6-chloro-7-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]- (ACI)

Formula:
C23H23ClN6O2

Calculated chemical properties:

MW 450.92
NB_atoms 32
XLogP 4.27
PSA 73.245
NB_HD 1
NB_HA 8
fsp3 0.30
Lipinski(0=no;1=yes) 1

FDA
NDA 214985 (label) INN (DARIDOREXANT HYDROCHLORIDE) QUVIVIQ (IDORSIA) APPROVAL= AP YEAR= 2022 NEWMOLECULARENTITY