BROMFENAC

Search structure
Synonyms:
Status: Approved (1997) Withdrawn (1998)
Entry Type: Small molecule
Molecule Category: Parent
ATC: S01BC11
UNII: 864P0921DW

Structure
InChI Key ZBPLOVFIXSTCRZ-UHFFFAOYSA-N
Smile Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1
InChI
InChI=1S/C15H12BrNO3/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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12BrNO3
Molecular Weight 334.17
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

Primary Target
COX-1

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Inflammation 3 D007249 ClinicalTrials
Cataract 3 D002386 ClinicalTrials
Dry Eye Syndromes 3 D015352 ClinicalTrials
Conjunctivitis, Allergic 3 D003233 ClinicalTrials
Macular Edema 3 D008269 ClinicalTrials
Macular Degeneration 2 D008268 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 91714-94-2
ChEBI 240107
ChEMBL CHEMBL1077
DrugBank DB00963
DrugCentral 401
EPA CompTox DTXSID7040655
FDA SRS 864P0921DW
Human Metabolome Database HMDB0015098
Guide to Pharmacology 7131
PDB 27R
PharmGKB PA448670
PubChem 60726
SureChEMBL SCHEMBL34411
ZINC ZINC000002570817
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