BROMFENAC SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1997) Withdrawn (1998)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 8ECV571Y37
Parent Compound: BROMFENAC

Structure
InChI Key HZFGMQJYAFHESD-UHFFFAOYSA-M
Smile Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.[Na+]
InChI
InChI=1S/C15H12BrNO3.Na/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;/h1-7H,8,17H2,(H,18,19);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11BrNNaO3
Molecular Weight 356.15
AlogP 2.89
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 80.39
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 80 - - -
Enzyme Transferase
- - - - 1.246
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 5.62-69.85

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
32.46
Injury, poisoning and procedural complications
15.7
Nervous system disorders
10.16
General disorders and administration site conditions
8.72
Skin and subcutaneous tissue disorders
6.73
Immune system disorders
4.78
Gastrointestinal disorders
4.15
Product issues
3.43
Vascular disorders
2.79
Cardiac disorders
2.12
Respiratory, thoracic and mediastinal disorders
2.03

Cross References

Resources Reference
ChEBI 140536
ChEMBL CHEMBL751
EPA CompTox DTXSID70273981
FDA SRS 8ECV571Y37
PubChem 23693301
SureChEMBL SCHEMBL56644
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