e-Drug3D

1518

BOCEPREVIR

DISCONTINUED

INN
BOCEPREVIR

cas 394730-60-0

CLASS

ANTIINFECTIVES
HEPATITIS C VIRUS (HCV) NS3/4A PROTEASE INHIBITOR
COVALENTLY, YET REVERSIBLY, BINDS TO THE NS3 PROTEASE ACTIVE SITE SERINE (S139)

ROUTE (list)

ORAL

ATC code

J05AP03

PK parameters

VD 772 LITER (800 MILLIGRAM)
Cl 161 LITER / HOUR
PPB 75 PERCENT
t1/2 3.4 HOUR

Solubility

SLIGHTLY SOLUBLE IN WATER

Target

TARGET HCV NON-STRUCTURAL PROTEIN 3 (NS3) SERINE PROTEASE

DrugCentral

Hepatitis C virus serine protease, NS3,NS4A UNIPROT A3EZI9 NS3

Download SDF file

3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2S)-2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)-

Formula:
C27H45N5O5

Calculated chemical properties:

MW 519.68
NB_atoms 37
XLogP 1.71
PSA 132.541
NB_HD 5
NB_HA 10
fsp3 0.81
Lipinski(0=no;1=yes) 0

FDA
NDA 202258 (label) INN (BOCEPREVIR) VICTRELIS (MERCK SHARP DOHME) APPROVAL= AP YEAR= 2011 DISCONTINUED