e-Drug3D

1710

VORAPAXAR

DISCONTINUED

INN
VORAPAXAR

cas 618385-01-6

CLASS

BLOOD
PROTEASE-ACTIVATED RECEPTOR-1 (PAR-1) ANTAGONIST
REDUCTION OF THROMBOTIC CARDIOVASCULAR EVENTS
INHIBITOR OF PLATELET AGGREGATION
ITS LONG HALF-LIFE MAKES IT EFFECTIVELY IRREVERSIBLE

ROUTE (list)

ORAL

ATC code

B01AC26

PK parameters

F 100 PERCENT
Tmax 1 HOUR
VD 424 LITER
Cl 1.5 LITER / HOUR (EQN)
PPB 99 PERCENT
t1/2 192 HOUR

Solubility

SLIGHTLY SOLUBLE IN WATER AT PH 1

Target

TARGET PROTEASE-ACTIVATED RECEPTOR-1 (PAR-1)

PDB
3VW7 (CRYSTAL STRUCTURE OF HUMAN PROTEASE-ACTIVATED RECEPTOR 1 (PAR1) BOUND WITH ANTAGONIST VORAPAXAR AT 2.2 ANGSTROM)

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

Download experimental 3D coordinates of VPX with added hydrogens

DrugCentral

Proteinase-activated receptor 1 UNIPROT P25116 F2R

Download SDF file

Carbamic acid, N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester

Formula:
C29H33FN2O4

Calculated chemical properties:

MW 492.57
NB_atoms 36
XLogP 5.63
PSA 76.15
NB_HD 1
NB_HA 6
fsp3 0.48
Lipinski(0=no;1=yes) 0

FDA
NDA 204886 (label) INN (VORAPAXAR SULFATE) ZONTIVITY (KEY THERAP) APPROVAL= AP YEAR= 2014 NEWMOLECULARENTITY DISCONTINUED