Drug General Information
Drug ID	D0M7EI
Former ID	DNC011460
Drug Name	Acetic acid 2-pentylsulfanyl-phenyl ester
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[534753]
Structure		Download 2D MOL 3D MOL
Formula	C13H18O2S
Canonical SMILES	CCCCCSC1=CC=CC=C1OC(=O)C
InChI	1S/C13H18O2S/c1-3-4-7-10-16-13-9-6-5-8-12(13)15-11(2)14/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKey	QCBPAZOETZPVCH-UHFFFAOYSA-N
PubChem Compound ID	9837624
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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