e-Drug3D

1850

GLECAPREVIR

INN
GLECAPREVIR

cas 1365970-03-1

CLASS

ANTIINFECTIVES
TREATMENT OF HEPATITIS C VIRUS (HCV)
NS3/4A PROTEASE INHIBITOR

ROUTE (list)

ORAL

ATC code

J05AP57

PK parameters

Tmax 5 HOUR
Cmax 712.4 NANOMOLAR
PPB 97.5 PERCENT
t1/2 6 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET NS3/4A PROTEASE INHIBITOR

PDB
6P6T (HCV NS3,4A PROTEASE DOMAIN OF GENOTYPE 4A IN COMPLEX WITH GLECAPREVIR)

Ligand code = O31 (link to the list of PDB complexes)

Download experimental 3D coordinates of O31 with added hydrogens

DrugCentral

Unknown

Download SDF file

Cyclopropanecarboxamide, N-[[[(1R,2R)-2-[[4,4-difluoro-4-(3-hydroxy-2-quinoxalinyl)-2-buten-1-yl]oxy]cyclopentyl]oxy]carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-2-(difluoromethyl)-N-[(1-methylcyclopropyl)sulfonyl]-, cyclic (1->2)-ether, (1R,2R)-

Formula:
C38H46F4N6O9S

Calculated chemical properties:

MW 838.88
NB_atoms 58
XLogP 3.86
PSA 175.627
NB_HD 3
NB_HA 15
fsp3 0.63
Lipinski(0=no;1=yes) 0

FDA
NDA 209394 (label) INN (GLECAPREVIR ; PIBRENTASVIR) MAVYRET (ABBVIE) APPROVAL= AP YEAR= 2017
NDA 215110 (label) INN (GLECAPREVIR ; PIBRENTASVIR) MAVYRET (ABBVIE) APPROVAL= AP YEAR= 2021