bromfenac   Click here for help

GtoPdb Ligand ID: 7131

Synonyms: AHR-10282B | Bromday® | Prolensa® | Xibrom®
Approved drug PDB Ligand Immunopharmacology Ligand
bromfenac is an approved drug (FDA (2004), EMA (2011))
Compound class: Synthetic organic
Comment: Bromfenac is a nonsteroidal anti-inflammatory drug (NSAID).
Marketed formulations may contain bromfenac sodium (PubChem CID 23693301).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 80.39
Molecular weight 333
XLogP 3.41
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br
Isomeric SMILES OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br
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)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
COX-1 Primary target of this compound Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 8.48x10-9 M) [1]