e-Drug3D

1271

INDINAVIR

DISCONTINUED

INN
INDINAVIR

cas 150378-17-9

CLASS

ANTIINFECTIVES
HIV PROTEASE INHIBITOR
ANTIVIRAL

ROUTE (list)

ORAL

ATC code

J05AE02

PK parameters

VD 53.3 LITER (65 KILOGRAM)
Cl 70.2 LITER / HOUR (65 KILOGRAM)
PPB 60 PERCENT
t1/2 1.8 HOUR

Solubility

GOOD IN WATER

Target

TARGET HIV-1 PROTEASE

PDB
1SGU (COMPARING THE ACCUMULATION OF ACTIVE SITE AND NON-ACTIVE SITE MUTATIONS IN THE HIV-1 PROTEASE)

Ligand code = MK1 (link to the list of PDB complexes)

Download experimental 3D coordinates of MK1 with added hydrogens

DrugCentral

Pol polyprotein UNIPROT Q72874 pol

Download SDF file

(2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Formula:
C36H47N5O4

Calculated chemical properties:

MW 613.79
NB_atoms 45
XLogP 2.87
PSA 104.241
NB_HD 4
NB_HA 9
fsp3 0.47
Lipinski(0=no;1=yes) 0

FDA
NDA 020685 (label) INN (INDINAVIR SULFATE) CRIXIVAN (MERCK SHARP DOHME) APPROVAL= AP YEAR= 1996 DISCONTINUED