e-Drug3D

508

DIFLUNISAL


INN
DIFLUNISAL

cas 22494-42-4
CLASS

NERVOUS SYSTEM
ANTIINFLAMMATORY
ANALGESIC
NSAID
CYCLOOXYGENASE INHIBITORS
SYMPTOMATIC TREATMENT OF MILD TO MODERATE PAIN, OSTEOARTHRITIS AND RHEUMATOID ARTHRITIS
ANTIPYRETIC

ROUTE (list)

ORAL

ATC code

N02BA11

PK parameters

Tmax 2.5 HOUR
VD 6.3 LITER (65 KILOGRAM)
Cl 0.39 LITER / HOUR (65 KILOGRAM)
PPB 99 PERCENT
t1/2 10 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER


Target

TARGET PROSTAGLANDIN G/H SYNTHASE 1
PROSTAGLANDIN G/H SYNTHASE 2

PDB
4I89 (CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH DIFLUNISAL AT ACIDIC PH)

Ligand code = 1FL (link to the list of PDB complexes)

Download experimental 3D coordinates of 1FL with added hydrogens

DrugCentral

Prostaglandin G,H synthase 2 UNIPROT P35354 PTGS2

Prostaglandin G,H synthase 1 UNIPROT P23219 PTGS1

Download SDF file 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid

Formula:
C13H8F2O3

Calculated chemical properties:

MW 249.19
NB_atoms 18
XLogP 1.70
PSA 53.765
NB_HD 1
NB_HA 3
fsp3 0.00
Lipinski(0=no;1=yes) 1

FDA
NDA 018445 (pdf not found) INN (DIFLUNISAL) DOLOBID (MERCK) APPROVAL= AP YEAR= 1982 DISCONTINUED
NDA 073562 (pdf not found) INN (DIFLUNISAL) DIFLUNISAL (DASTECH INTL) APPROVAL= AP YEAR= 1992 DISCONTINUED
NDA 073563 (pdf not found) INN (DIFLUNISAL) DIFLUNISAL (DASTECH INTL) APPROVAL= AP YEAR= 1992 DISCONTINUED
NDA 073673 (pdf not found) INN (DIFLUNISAL) DIFLUNISAL (TEVA) APPROVAL= AP YEAR= 1992
NDA 073679 (pdf not found) INN (DIFLUNISAL) DIFLUNISAL (TEVA) APPROVAL= AP YEAR= 1992 DISCONTINUED
NDA 074285 (pdf not found) INN (DIFLUNISAL) DIFLUNISAL (PUREPAC PHARM) APPROVAL= AP YEAR= 1996 DISCONTINUED
NDA 074604 (pdf not found) INN (DIFLUNISAL) DIFLUNISAL (ANI PHARMS) APPROVAL= AP YEAR= 1996 DISCONTINUED
NDA 074400 (pdf not found) INN (DIFLUNISAL) DIFLUNISAL (WATSON LABS) APPROVAL= AP YEAR= 1997 DISCONTINUED
NDA 202845 (pdf not found) INN (DIFLUNISAL) DIFLUNISAL (HERITAGE PHARMA) APPROVAL= AP YEAR= 2012
NDA 203547 (pdf not found) INN (DIFLUNISAL) DIFLUNISAL (ZYDUS PHARMS) APPROVAL= AP YEAR= 2017

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL