e-Drug3D

1847

VOXILAPREVIR

INN
VOXILAPREVIR

cas 1535212-07-7

CLASS

ANTIINFECTIVES
TREATMENT OF HEPATITIS C VIRUS (HCV)
NS3/4A PROTEASE INHIBITOR (KI=38-66 PICOMOLAR)

ROUTE (list)

ORAL

ATC code

J05AP56

PK parameters

Tmax 4 HOUR
PPB 99 PERCENT
t1/2 33 HOUR

Solubility

IS PRACTICALLY INSOLUBLE (LESS THAN 0.1 MG/ML) BELOW PH 6.8

Target

TARGET NS3/4A PROTEASE

PDB
6NZT (CRYSTAL STRUCTURE OF HCV NS3, 4A PROTEASE IN COMPLEX WITH VOXILAPREVIR)

Ligand code = L9P (link to the list of PDB complexes)

Download experimental 3D coordinates of L9P with added hydrogens

DrugCentral

Genome polyprotein UNIPROT P26663

Genome polyprotein UNIPROT Q81495

Download SDF file

Cyclopropanecarboxamide, N-[[[(1R,2R)-2-[5,5-difluoro-5-(3-hydroxy-6-methoxy-2-quinoxalinyl)pentyl]cyclopropyl]oxy]carbonyl]-3-methyl-L-valyl-(3S,4R)-3-ethyl-4-hydroxy-L-prolyl-1-amino-2-(difluoromethyl)-N-[(1-methylcyclopropyl)sulfonyl]-, cyclic (1->2)-ether, (1R,2R)-

Formula:
C40H52F4N6O9S

Calculated chemical properties:

MW 868.95
NB_atoms 60
XLogP 4.96
PSA 174.677
NB_HD 3
NB_HA 15
fsp3 0.70
Lipinski(0=no;1=yes) 0

FDA
NDA 209195 (label) INN (SOFOSBUVIR ; VELPATASVIR ; VOXILAPREVIR) VOSEVI (GILEAD SCIENCES INC) APPROVAL= AP YEAR= 2017