e-Drug3D

846

ROFECOXIB

DISCONTINUED

INN
ROFECOXIB

cas 162011-90-7

CLASS

MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY NSAID
ANALGESIC
CYCLOOXYGENASE 2 INHIBITORS

ROUTE (list)

ORAL

ATC code

M01AH02

PK parameters

F 93 PERCENT
Tmax 2.5 HOUR
VD 91 LITER
Cl 8.46 LITER / HOUR
PPB 87 PERCENT
t1/2 17 HOUR

Solubility

INSOLUBLE IN WATER

Target

TARGET PROSTAGLANDIN G/H SYNTHASE 2 (COX-2)

PDB
5KIR (THE STRUCTURE OF VIOXX BOUND TO HUMAN COX-2)

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

Download experimental 3D coordinates of RCX with added hydrogens

DrugCentral

Prostaglandin G,H synthase 2 UNIPROT P35354 PTGS2

Download SDF file

4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one

Formula:
C17H14O4S

Calculated chemical properties:

MW 314.35
NB_atoms 22
XLogP 2.56
PSA 62.959
NB_HD 0
NB_HA 4
fsp3 0.12
Lipinski(0=no;1=yes) 1

FDA
NDA 021042 (label) INN (ROFECOXIB) VIOXX (MERCK) APPROVAL= AP YEAR= 1999 DISCONTINUED
NDA 021052 (label) INN (ROFECOXIB) VIOXX (MERCK) APPROVAL= AP YEAR= 1999 DISCONTINUED
NDA 021647 (label) INN (ROFECOXIB) VIOXX (MERCK) APPROVAL= AP YEAR= 2004 NEWAPPLICATION DISCONTINUED