FLURBIPROFEN

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC M01AE09 M02AA19 R02AX01 S01BC04
UNII 5GRO578KLP
EPA CompTox DTXSID0037231

Structure

InChI Key SYTBZMRGLBWNTM-UHFFFAOYSA-N
Smiles CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13FO2
Molecular Weight 244.26
AlogP 3.68
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 15.6
Enzyme Oxidoreductase
- 10-500 - - -
Membrane receptor
- - - - 7.29-30
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 98.28-227.02
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 98.28-227.02
Electrophorus electricus
- - - - 15.6
Homo sapiens
- - - - 9.6-90
Mus musculus
- 500 - - 9.6-86.6
Ovis aries
- 11-500 - - -
Rattus norvegicus
- 100-170 - - 55-80.29

Target Conservation

Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 1
Organism : Homo sapiens
P23219 ENSG00000095303
Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 2
Organism : Homo sapiens
P35354 ENSG00000073756

Related Entries

Cross References

Resources Reference
ChEBI 5130
ChEMBL CHEMBL563
DrugBank DB00712
DrugCentral 1219
FDA SRS 5GRO578KLP
Human Metabolome Database HMDB0014850
Guide to Pharmacology 4194
KEGG D00330
PDB FLP
PharmGKB PA449683
PubChem 3394
SureChEMBL SCHEMBL2248
ZINC ZINC00008667
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