e-Drug3D

938

TIPRANAVIR

INN
TIPRANAVIR

cas 174484-41-4

CLASS

ANTIINFECTIVES
HIV PROTEASE INHIBITOR
ANTIVIRAL

ROUTE (list)

ORAL

ATC code

J05AE09

PK parameters

Tmax 2.9 HOUR
Cmax 94.8 MICROMOLAR (500 MILLIGRAM)
VD 8.5 LITER
Cl 1.15 LITER / HOUR
PPB 99.9 PERCENT
t1/2 5.5 HOUR

Solubility

INSOLUBLE IN WATER

Target

TARGET HIV-1 PROTEASE

PDB
3SPK (TIPRANAVIR IN COMPLEX WITH A HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE VARIANT)

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

Download experimental 3D coordinates of TPV with added hydrogens

DrugCentral

Pol polyprotein UNIPROT Q72874 pol

Download SDF file

N-[3-[(1R)-1-[(6R)-2-hydroxy-4-oxo-6-(2-phenylethyl)-6-propyl-5H-pyran-3-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

Formula:
C31H33F3N2O5S

Calculated chemical properties:

MW 602.66
NB_atoms 42
XLogP 7.33
PSA 94.819
NB_HD 2
NB_HA 7
fsp3 0.35
Lipinski(0=no;1=yes) 0

FDA
NDA 021814 (label) INN (TIPRANAVIR) APTIVUS (BOEHRINGER INGELHEIM) APPROVAL= AP YEAR= 2005
NDA 021822 (label) INN (TIPRANAVIR) APTIVUS (BOEHRINGER INGELHEIM) APPROVAL= AP YEAR= 2008 NEWAPPLICATION
NDA 022292 (label) INN (TIPRANAVIR) APTIVUS (BOEHRINGER INGELHEIM) APPROVAL= AP YEAR= 2008 DISCONTINUED