Drug General Information
Drug ID	D04KAM
Former ID	DNC011463
Drug Name	Acetic acid 2-hexylsulfanyl-phenyl ester
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[534753]
Structure		Download 2D MOL 3D MOL
Formula	C14H20O2S
Canonical SMILES	CCCCCCSC1=CC=CC=C1OC(=O)C
InChI	1S/C14H20O2S/c1-3-4-5-8-11-17-14-10-7-6-9-13(14)16-12(2)15/h6-7,9-10H,3-5,8,11H2,1-2H3
InChIKey	IIONGZARVQOSAZ-UHFFFAOYSA-N
PubChem Compound ID	10220627
Target and Pathway
Target(s)	Prostaglandin G/H synthase 1	Target Info	Inhibitor	[534753]
BioCyc Pathway	C20 prostanoid biosynthesis
KEGG Pathway	Arachidonic acid metabolism
	Metabolic pathways
	Platelet activation
	Serotonergic synapse
NetPath Pathway	TGF_beta_Receptor Signaling Pathway
PANTHER Pathway	Inflammation mediated by chemokine and cytokine signaling pathway
PathWhiz Pathway	Arachidonic Acid Metabolism
WikiPathways	Prostaglandin Synthesis and Regulation
	Arachidonic acid metabolism
	Phase 1 - Functionalization of compounds
	Eicosanoid Synthesis
	Selenium Micronutrient Network
References
Ref 534753	J Med Chem. 1998 Nov 19;41(24):4800-18.Covalent modification of cyclooxygenase-2 (COX-2) by 2-acetoxyphenyl alkyl sulfides, a new class of selective COX-2 inactivators.
Ref 534753	J Med Chem. 1998 Nov 19;41(24):4800-18.Covalent modification of cyclooxygenase-2 (COX-2) by 2-acetoxyphenyl alkyl sulfides, a new class of selective COX-2 inactivators.

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