e-Drug3D

870

LOPINAVIR


INN
LOPINAVIR

cas 192725-17-0
CLASS

ANTIINFECTIVES
ANTIVIRAL
ANTI-HIV
HIV PROTEASE INHIBITORS

ROUTE (list)

ORAL

ATC code

J05AR10

PK parameters

Tmax 4 HOUR
Cmax 15.6 MICROMOLAR
Cl 5.98 LITER / HOUR
PPB 98.5 PERCENT
t1/2 5.5 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER


Target

TARGET HIV-1 PROTEASE

PDB
2O4S (CRYSTAL STRUCTURE OF HIV-1 PROTEASE (Q7K) IN COMPLEX WITH LOPINAVIR)

Ligand code = AB1 (link to the list of PDB complexes)

Download experimental 3D coordinates of AB1 with added hydrogens

DrugCentral

Pol polyprotein UNIPROT Q72874 pol

Download SDF file (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-di(phenyl)hexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide

Formula:
C37H48N4O5

Calculated chemical properties:

MW 628.79
NB_atoms 46
XLogP 4.33
PSA 97.542
NB_HD 4
NB_HA 9
fsp3 0.43
Lipinski(0=no;1=yes) 0

FDA
NDA 021226 (label) INN (LOPINAVIR ; RITONAVIR) KALETRA (ABBVIE) APPROVAL= AP YEAR= 2000 DISCONTINUED
NDA 021251 (label) INN (LOPINAVIR ; RITONAVIR) KALETRA (ABBVIE) APPROVAL= AP YEAR= 2000
NDA 021906 (label) INN (LOPINAVIR ; RITONAVIR) KALETRA (ABBVIE) APPROVAL= AP YEAR= 2005
NDA 090371 (pdf not found) INN (LOPINAVIR ; RITONAVIR) LOPINAVIR; RITONAVIR (CIPLA LIMITED) APPROVAL= TA YEAR= 2009
NDA 090471 (pdf not found) INN (LOPINAVIR ; RITONAVIR) LOPINAVIR; RITONAVIR (AUROBINDO PHARMA LTD) APPROVAL= TA YEAR= 2009
NDA 091202 (label) INN (LOPINAVIR ; RITONAVIR) LOPINAVIR; RITONAVIR (MYLAN PHARMA) APPROVAL= TA YEAR= 2011
NDA 091203 (pdf not found) INN (LOPINAVIR ; RITONAVIR) LOPINAVIR; RITONAVIR (CIPLA LIMITED) APPROVAL= TA YEAR= 2012
NDA 205425 (pdf not found) INN (LOPINAVIR ; RITONAVIR) LOPINAVIR AND RITONAVIR (CIPLA LTD) APPROVAL= TA YEAR= 2015
NDA 207407 (label) INN (LOPINAVIR ; RITONAVIR) LOPINAVIR AND RITONAVIR (LANNETT CO INC) APPROVAL= AP YEAR= 2016 DISCONTINUED
NDA 091677 (pdf not found) INN (LOPINAVIR ; RITONAVIR) LOPINAVIR AND RITONAVIR (HETERO LABS LTD III) APPROVAL= AP YEAR= 2021
NDA 213857 (pdf not found) INN (LOPINAVIR ; RITONAVIR) LOPINAVIR AND RITONAVIR (LAURUS) APPROVAL= AP YEAR= 2022
NDA 079074 (pdf not found) INN (LOPINAVIR ; RITONAVIR) LOPINAVIR AND RITONAVIR (MYLAN LABS LTD) APPROVAL= AP YEAR= 2024
NDA 204739 (pdf not found) INN (LOPINAVIR ; RITONAVIR) LOPINAVIR AND RITONAVIR (MACLEODS PHARMS LTD) APPROVAL= AP YEAR= 2024
NDA 214696 (pdf not found) INN (LOPINAVIR ; RITONAVIR) LOPINAVIR AND RITONAVIR (MICRO LABS) APPROVAL= AP YEAR= 2025

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL