e-Drug3D

958

MARAVIROC

INN
MARAVIROC

cas 376348-65-1

CLASS

ANTIINFECTIVES
ANTI-HIV AGENTS
ANTIVIRAL
PROTEIN-PROTEIN INTERACTION INHIBITOR
CCR5 CO-RECEPTOR LIGAND
HIV-1 GP120

ROUTE (list)

ORAL

ATC code

J05AX09

PK parameters

F 28 PERCENT
Tmax 2.25 HOUR
VD 194 LITER
Cl 8.4 LITER / HOUR (EQN)
PPB 76 PERCENT
t1/2 16 HOUR

Solubility

HIGHLY SOLUBLE IN WATER

Target

TARGET C-C CHEMOKINE RECEPTOR TYPE 5

PDB
4MBS (CRYSTAL STRUCTURE OF THE CCR5 CHEMOKINE RECEPTOR)

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

Download experimental 3D coordinates of MRV with added hydrogens

DrugCentral

C-C chemokine receptor type 5 UNIPROT P51681 CCR5

Download SDF file

4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide

Formula:
C29H41F2N5O

Calculated chemical properties:

MW 513.67
NB_atoms 37
XLogP 5.95
PSA 58.721
NB_HD 1
NB_HA 6
fsp3 0.69
Lipinski(0=no;1=yes) 0

FDA
NDA 022128 (label) INN (MARAVIROC) SELZENTRY (VIIV HLTHCARE) APPROVAL= AP YEAR= 2007 NEWMOLECULARENTITY
NDA 203382 (pdf not found) INN (MARAVIROC) MARAVIROC (SANDOZ INC) APPROVAL= TA YEAR= 2014
NDA 208984 (label) INN (MARAVIROC) SELZENTRY (VIIV HLTHCARE) APPROVAL= AP YEAR= 2016
NDA 203347 (pdf not found) INN (MARAVIROC) MARAVIROC (HETERO LABS LTD III) APPROVAL= AP YEAR= 2022
NDA 217114 (pdf not found) INN (MARAVIROC) MARAVIROC (I 3 PHARMS) APPROVAL= AP YEAR= 2023
NDA 217880 (pdf not found) INN (MARAVIROC) MARAVIROC (NAVINTA LLC) APPROVAL= AP YEAR= 2025
NDA 216143 (pdf not found) INN (MARAVIROC) MARAVIROC (RHODES PHARMS) APPROVAL= AP YEAR= 2025 DISCONTINUED