ESFLURBIPROFEN


Synonyms	BTS 24332 BTS-24332 Esflurbiprofen Flurbiprofen, (s)-
Status
Molecule Category	UNKNOWN
ATC	M02AA29
UNII	J5ZZK9P7MX


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


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

Mechanism of Action	Action	Reference
Cyclooxygenase inhibitor	INHIBITOR	Other


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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	2000	-	-	-
Enzyme Protease Aspartic protease Aspartic protease AD clan Aspartic protease A22A subfamily Aspartic protease A22A regulatory subfamily	-	-	-	-	37
Enzyme	-	2000	-	-	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

Assay Description	Organism	Bioactivity
Inhibition of lipopolysaccharide-induced PGE-2 production at 10e-5 M	Mus musculus	99.0 %
Inhibition of CXCL8-induced chemotaxis of human polymorphonuclear cells at 10e-8 M	Homo sapiens	22.0 %
Concentration required to inhibit cyclooxygenase-1 in rat blood	Rattus norvegicus	30.0 nM
Concentration required to inhibit cyclooxygenase-2 in human blood	Homo sapiens	910.0 nM
Inhibition of beta amyloid protein 42 in SH-SY5Y cell lines overexpressing SPA4CT at 100 uM	Homo sapiens	37.0 %
Inhibition of beta amyloid protein 42 in HEK cell lines overexpressing APP695 at 100 uM	Homo sapiens	65.0 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	-6.47 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	-9.105 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.03 %	Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.03 %

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