Drug General Information
Drug ID	D0X9VY
Former ID	DNC011443
Drug Name	Acetic acid 2-heptylsulfanyl-phenyl ester
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[534753]
Structure		Download 2D MOL 3D MOL
Formula	C15H22O2S
Canonical SMILES	CCCCCCCSC1=CC=CC=C1OC(=O)C
InChI	1S/C15H22O2S/c1-3-4-5-6-9-12-18-15-11-8-7-10-14(15)17-13(2)16/h7-8,10-11H,3-6,9,12H2,1-2H3
InChIKey	FBOXARNCZRHBOP-UHFFFAOYSA-N
PubChem Compound ID	9965195
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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