FLP

FLURBIPROFEN

Created:	1999-07-08
Last modified:	2011-06-04

Find Related PDB Entry
11 entries where FLP is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	13

2D diagram of FLP

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	FLURBIPROFEN
Systematic Name (OpenEye OEToolkits)	(2S)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid
Formula	C₁₅ H₁₃ F O₂
Molecular Weight	244.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc2cc(ccc2c1ccccc1)C(C(=O)O)C
SMILES	CACTVS	3.341	C[CH](C(O)=O)c1ccc(c(F)c1)c2ccccc2
SMILES	OpenEye OEToolkits	1.5.0	CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O
Canonical SMILES	CACTVS	3.341	C[C@H](C(O)=O)c1ccc(c(F)c1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O
InChI	InChI	1.03	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
InChIKey	InChI	1.03	SYTBZMRGLBWNTM-JTQLQIEISA-N

Drug Info: DrugBank

DrugBank ID	DB16159
Name	Esflurbiprofen
Groups	investigational
Description	Esflurbiprofen is under investigation in clinical trial NCT03434197 (Safety and Efficacy of SFPP in Knee Osteoarthritis).
Synonyms	Esflurbiprofen Flurbiprofen, (s)-
Categories	Antiinflammatory Preparations, Non-Steroids for Topical Use Musculo-Skeletal System Topical Products for Joint and Muscular Pain
ATC-Code	M02AA29
CAS number	51543-39-6

Related Resource References

Resource Name	Reference
Pharos	CHEMBL435298
PubChem	72099
ChEMBL	CHEMBL435298
ChEBI	CHEBI:42446
CCDC/CSD	FLUBIP, VEVKEP01, JOSPEP, JOSPOZ, JOSPIT, VEVKEP, YACZIO, YACZIO01, VEVMAN

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.