esflurbiprofen   

GtoPdb Ligand ID: 9420

Synonyms: (S)-flurbiprofen | BTS-24332 | SFPP | TT-063
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.
2D Structure
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Physico-chemical Properties
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
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
Classification
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (PMDA Japan (2015))
IUPAC Name
(2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid
International Nonproprietary Names
INN number INN
5776 esflurbiprofen
Synonyms
(S)-flurbiprofen | BTS-24332 | SFPP | TT-063
Database Links
CAS Registry No. 51543-39-6
ChEMBL Ligand CHEMBL435298
DrugCentral Ligand 5060
GtoPdb PubChem SID 328083520
PubChem CID 72099
RCSB PDB Ligand FLP
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