Drug Information

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]
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 534753J 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 534753J 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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