Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02VLR
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| Former ID |
DNC011449
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| Drug Name |
Acetic acid 2-hept-2-ynylsulfanyl-phenyl ester
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| Synonyms |
aphs; 209125-28-0; 2-(2-Heptynylthio)phenol Acetate; (2-hept-2-ynylsulfanylphenyl) acetate; CHEMBL345018; o-(Acetophenyl)hept-2-ynyl sulphide; Phenol, 2-(2-heptynylthio)-, acetate; Acetic acid 2-hept-2-ynylsulfanyl-phenyl ester; AC1L1D69; SCHEMBL3842943; DTXSID40175069; ZINC1903162; BDBM50068160; o-(Acetoxyphenyl)hept-2-ynyl sulphide; RT-011298; FT-0669138
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C15H18O2S
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| Canonical SMILES |
CCCCC#CCSC1=CC=CC=C1OC(=O)C
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| InChI |
1S/C15H18O2S/c1-3-4-5-6-9-12-18-15-11-8-7-10-14(15)17-13(2)16/h7-8,10-11H,3-5,12H2,1-2H3
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| InChIKey |
GXMBHQRROXQUJS-UHFFFAOYSA-N
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| CAS Number |
CAS 209125-28-0
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Prostaglandin G/H synthase 1 (COX-1) | Target Info | Inhibitor | [1] |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Covalent modification of cyclooxygenase-2 (COX-2) by 2-acetoxyphenyl alkyl sulfides, a new class of selective COX-2 inactivators. J Med Chem. 1998 Nov 19;41(24):4800-18. | |||
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