e-Drug3D

1587

COBICISTAT

INN
COBICISTAT

cas 1004316-88-4

CLASS

ANTIINFECTIVES
TREATMENT OF HIV-1 INFECTION
PHARMACOENHANCER
INHIBITOR OF CYTOCHROME P450 3A
INHIBIT THE INTESTINAL EFFLUX TRANSPORTERS P-GLYCOPROTEIN AND BREAST CANCER RESISTANCE PROTEIN (PMID22850510)

ROUTE (list)

ORAL

ATC code

J05AR15
V03AX03
J05AR14
J05AR22
J05AR18
J05AR09

PK parameters

Tmax 3 HOUR
PPB 97 PERCENT
t1/2 3.5 HOUR

Solubility

OF 0.1 MG PER ML

Target

TARGET CYTOCHROME P450 3A

PDB
9BBB (HUMAN CYP3A4 BOUND TO AN INHIBITOR)

Ligand code = A1APA (link to the list of PDB complexes)

Download experimental 3D coordinates of A1APA with added hydrogens

DrugCentral

Cytochrome P450 3A UNIPROT P08684 CYP3A4

Download SDF file

2,7,10,12-Tetraazatridecanoic acid, 12-methyl-13-[2-(1-methylethyl)-4-thiazolyl]-9-[2-(4-morpholinyl)ethyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3R,6R,9S)-

Formula:
C40H53N7O5S2

Calculated chemical properties:

MW 776.03
NB_atoms 54
XLogP 6.00
PSA 122.015
NB_HD 3
NB_HA 12
fsp3 0.47
Lipinski(0=no;1=yes) 0

FDA
NDA 203100 (pdf not found) INN (COBICISTAT ; ELVITEGRAVIR ; EMTRICITABINE ; TENOFOVIR DISOPROXIL FUMARATE) STRIBILD (GILEAD SCIENCES INC) APPROVAL= AP YEAR= 2012
NDA 203094 (pdf not found) INN (COBICISTAT) TYBOST (GILEAD SCIENCES INC) APPROVAL= AP YEAR= 2014
NDA 205395 (pdf not found) INN (COBICISTAT ; DARUNAVIR) PREZCOBIX (JANSSEN PRODS) APPROVAL= AP YEAR= 2015
NDA 206353 (pdf not found) INN (ATAZANAVIR SULFATE ; COBICISTAT) EVOTAZ (BRISTOL) APPROVAL= AP YEAR= 2015
NDA 207561 (pdf not found) INN (COBICISTAT ; ELVITEGRAVIR ; EMTRICITABINE ; TENOFOVIR ALAFENAMIDE FUMARATE) GENVOYA (GILEAD SCIENCES INC) APPROVAL= AP YEAR= 2015
NDA 210455 (pdf not found) INN (COBICISTAT ; DARUNAVIR ; EMTRICITABINE ; TENOFOVIR ALAFENAMIDE FUMARATE) SYMTUZA (JANSSEN PRODS) APPROVAL= AP YEAR= 2018
NDA 209986 (pdf not found) INN (COBICISTAT) COBICISTAT (MYLAN LABS LTD) APPROVAL= AP YEAR= 2024 DISCONTINUED