flurbiprofen   Click here for help

GtoPdb Ligand ID: 4194

Synonyms: Ansaid® | Froben®
Approved drug Immunopharmacology Ligand
flurbiprofen is an approved drug (FDA (1986))
Compound class: Synthetic organic
Comment: Flurbiprofen is member of the nonsteroidal anti-inflammatory drug (NSAID) family. It has antipyretic and analgesic activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 244.09
XLogP 3.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C
Isomeric SMILES OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C
InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChI Key SYTBZMRGLBWNTM-UHFFFAOYSA-N
Immunopharmacology Disease
Disease X-Refs Comment References
Osteoarthritis Disease Ontology: DOID:8398
Approved NSAID used for many inflammatory conditions including OA.
Rheumatoid arthritis Disease Ontology: DOID:7148
OMIM: 180300
Approved NSAID used for many inflammatory conditions including RA.
Systemic lupus erythematosus Disease Ontology: DOID:9074
OMIM: 152700
Orphanet: ORPHA536
Approved NSAID used for many inflammatory conditions including SLE.
Ankylosing spondylitis Disease Ontology: DOID:7147
Approved NSAID used for many inflammatory conditions including ankylosing spondylitis.