ESFLURBIPROFEN

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Synonyms
Status
Molecule Category Free-form
ATC M02AA29
UNII J5ZZK9P7MX

Structure

InChI Key SYTBZMRGLBWNTM-JTQLQIEISA-N
Smiles C[C@H](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)/t10-/m0/s1

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 Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 30-910 - - -
Enzyme Protease Aspartic protease Aspartic protease AD clan Aspartic protease A22A subfamily Aspartic protease A22A regulatory subfamily
- - - - 37
Enzyme
- 30-910 - - 37
Ion channel Other ion channel Miscellaneous ion channel Presenilin ER Ca2+ leak channel family
- - - - 37
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- - - - 22
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 910 - - 22-65
Rattus norvegicus
- 30 - - -

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 42446
ChEMBL CHEMBL435298
DrugBank DB16159
DrugCentral 5060
FDA SRS J5ZZK9P7MX
Guide to Pharmacology 9420
PDB FLP
PubChem 72099
SureChEMBL SCHEMBL505817
ZINC ZINC000000000323
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