esflurbiprofen   Click here for help

GtoPdb Ligand ID: 9420

Synonyms: (S)-flurbiprofen | BTS-24332 | SFPP | TT-063
Approved drug PDB Ligand Immunopharmacology Ligand
esflurbiprofen is an approved drug (PMDA Japan (2015))
Compound class: Synthetic organic
Comment: Esflurbiprofen is a topically applied, non-steroidal anti inflammatory drug (NSAID). It is the more active enantiomer of racemic flurbiprofen.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
Canonical SMILES OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C
Isomeric SMILES OC(=O)[C@H](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)/t10-/m0/s1
InChI Key SYTBZMRGLBWNTM-JTQLQIEISA-N
Immunopharmacology Disease
Disease X-Refs Comment References
Osteoarthritis Disease Ontology: DOID:8398
NSAID approved for the pain and inflammation of OA.