e-Drug3D

1277

NELFINAVIR

INN
NELFINAVIR

cas 159989-64-7

CLASS

ANTIINFECTIVES
HIV PROTEASE INHIBITOR
ANTIVIRAL

ROUTE (list)

ORAL

ATC code

J05AE04

PK parameters

VD 292 LITER (65 KILOGRAM)
Cl 47.6 LITER / HOUR (EQN)
PPB 98 PERCENT
t1/2 4.25 HOUR

Solubility

SLIGHTLY SOLUBLE IN WATER AT PH < 4

Target

TARGET HIV-1 PROTEASE

PDB
3EKX (CRYSTAL STRUCTURE OF THE WILD-TYPE HIV-1 PROTEASE WITH THE INHIBITOR, NELFINAVIR)

Ligand code = 1UN (link to the list of PDB complexes)

Download experimental 3D coordinates of 1UN with added hydrogens

DrugCentral

Pol polyprotein UNIPROT Q72874 pol

Download SDF file

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

Formula:
C32H45N3O4S

Calculated chemical properties:

MW 567.78
NB_atoms 40
XLogP 4.75
PSA 85.481
NB_HD 4
NB_HA 7
fsp3 0.56
Lipinski(0=no;1=yes) 0

FDA
NDA 020778 (pdf not found) INN (NELFINAVIR MESYLATE) VIRACEPT (AGOURON PHARMS) APPROVAL= AP YEAR= 1997 DISCONTINUED
NDA 020779 (pdf not found) INN (NELFINAVIR MESYLATE) VIRACEPT (AGOURON PHARMS) APPROVAL= AP YEAR= 1997
NDA 021503 (pdf not found) INN (NELFINAVIR MESYLATE) VIRACEPT (AGOURON PHARMS) APPROVAL= AP YEAR= 2003