IMRECOXIB


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


InChI Key	AXMZZGKKZDJGAZ-UHFFFAOYSA-N
Smiles	CCCN1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(C)cc2)C1=O
InChI	InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3

Assay Description	Organism	Bioactivity
Inhibition of COX1 in mouse peritoneal macrophages	Mus musculus	115.0 nM
Inhibition of COX2 in mouse peritoneal macrophages	Mus musculus	18.0 nM
Antiinflammatory activity in rat assessed as inhibition of carrageenan induced paw edema at 10 mg/kg after 1 hr relative to control	Rattus norvegicus	31.3 %
Antiinflammatory activity in rat assessed as inhibition of carrageenan induced paw edema at 10 mg/kg after 2 hrs relative to control	Rattus norvegicus	39.5 %
Antiinflammatory activity in rat assessed as inhibition of carrageenan induced paw edema at 10 mg/kg after 3 hrs relative to control	Rattus norvegicus	50.4 %
Antiinflammatory activity in rat assessed as inhibition of carrageenan induced paw edema at 10 mg/kg after 4 hrs relative to control	Rattus norvegicus	50.4 %
Inhibition of calcimycin-induced COX-1 in peritoneal macrophage of C57BL/J6 mouse assessed as 6-Keto prostaglandin F1alpha formation preincubated for 1 hr followed by calcimycin challenge by radioimmunoassay	Mus musculus	115.0 nM
Inhibition of LPS-induced COX-2 in peritoneal macrophage of C57BL/J6 mouse assessed as prostaglandin E2 formation preincubated for 1 hr followed by LPS challenge by radioimmunoassay	Mus musculus	18.0 nM

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