SUPROFEN


Trade Names	PROFENAL
Synonyms	NSC-303611 P-(2-thenoyl)hydratropic acid P-2-thenoylhydratropic acid Profenal R-25,061 R-25061 Racemic suprofen Srendam Sulproltin Suprofen Sutoprofen TN-762 Topalgic
Status
Molecule Category	UNKNOWN
ATC	M01AE07
UNII	988GU2F9PE
EPA CompTox	DTXSID5045469


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


InChI Key	MDKGKXOCJGEUJW-UHFFFAOYSA-N
Smiles	CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1
InChI	InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)

Mechanism of Action	Action	Reference
Cyclooxygenase inhibitor	INHIBITOR	PubMed


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 Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9	-	-	-	3700-45000	-
Enzyme Oxidoreductase	-	2750	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	109

Assay Description	Organism	Bioactivity
Inhibitory effects on passive cutaneous anaphylaxis in rats at a dose of 1 mg/site	Rattus norvegicus	-0.7 %
Compound was evaluated for its inhibitory effects on passive cutaneous anaphylaxis in rats at a dose of 2.5 mg/site	Rattus norvegicus	16.9 %
Inhibition of COX1 in human whole blood	Homo sapiens	560.0 nM
Antiproliferative activity against human PC3 cells at 100 uM after 72 hrs by MTT assay	Homo sapiens	0.0 %
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	108.54 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	96.21 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	12.84 %
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	0.34 %	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	0.34 %

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