General
Preferred name
DIFLUNISAL
Synonyms
MK-647 ()
Dolobid ()
Dolobis ()
Flovacil ()
Fluniget ()
Diflusinal ()
Dolobid, Dolobis, Flovacil, Fluniget,MK-647 ()
NSC-756728 ()
Dolobid 500 ()
P&D ID
PD002374
CAS
22494-42-4
Tags
available
drug
obsolete probe
Approved by
FDA
First approval
1982
Drug indication
Pain
Anti-Inflammatory
Analgesic
Drug Status
approved
investigational
Max Phase
4.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
TOXICITY Oral LD50 in rat, mouse, and rabbit is 392 mg/kg, 439 mg/kg, and 603 mg/kg, respectively. Symptoms of overdose include drowsiness, nausea, vomiting, diarrhea, hyperventilation, tachycardia, sweating, tinnitus, disorientation, stupor, and coma. As a monotherapy, the smallest dosage capable of causing death was reported as 15 grams.;

Selective COX-2 inhibitors have been associated with increased risk of serious cardiovascular events (e.g. myocardial infarction, stroke) in some patients. Current data is insufficient to assess the cardiovascular risk of diflunisal. Short-term use does not appear to be associated with increased cardiovascular risk (except when used immediately following coronary artery bypass graft (CABG) surgery). Risk of GI toxicity including bleeding, ulceration and perforation. Risk of direct renal injury, including renal papillary necrosis. Severe hepatic reactions, including cholestasis and/or jaundice, have been reported. May cause rash or hypersensitivity syndrome.

DESCRIPTION Diflunisal is a nonsteroidal anti-inflammatory drug (NSAID) (GtoPdb)
Cell lines
1
Organisms
0
Compound Sets
26
Axon Medchem Screening Library
3448
Cayman Chemical Bioactives
19187
ChEMBL Approved Drugs
CHEMBL898
ChEMBL Drugs
CHEMBL898
Drug Repurposing Hub
DrugBank
DB00861
DrugBank Approved Drugs
DB00861
DrugCentral
880
DrugCentral Approved Drugs
880
DrugMAP
DM7EN8I
DrugMAP Approved Drugs
DM7EN8I
DrugMatrix
Guide to Pharmacology
7162
IPPI - DB
1932
Ki Database
Diflunisal
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL898
MedChem Express Bioactive Compound Library
HY-18342
NCATS Inxight Approved Drugs
7C546U4DEN
NIH Clinical Collections (NCC)
NPC Screening Collection
Obsolete Compounds
diflusinal
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
diflunisal
TargetMol Bioactive Compound Library
T0808
The Spectrum Collection
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
250.04
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
3.04
TPSA
57.53
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.86
Structural alerts
1
historic compounds (Chemical Probes.org)
Obsolete
Custom attributes
(extracted from source data)
Pathway
Chromatin/Epigenetic
Immunology/Inflammation
Target
p300
PTGS1, PTGS2
COX inhibitor
COX
Indication
rheumatoid arthritis, osteoarthritis
MOA
prostanoid receptor antagonist
Therapeutic Class
Analgesics
Source data