Drug Information

Drug General Information
Drug ID
D04UEN
Former ID
DNC008163
Drug Name
1,1,1-trifluoro-3-(octylsulfinyl)propan-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529157]
Formula
C11H19F3O2S
Canonical SMILES
CCCCCCCCS(=O)CC(=O)C(F)(F)F
InChI
1S/C11H19F3O2S/c1-2-3-4-5-6-7-8-17(16)9-10(15)11(12,13)14/h2-9H2,1H3
InChIKey
WVDSELHSQAACKS-UHFFFAOYSA-N
PubChem Compound ID
44455866
Target and Pathway
Target(s) Fatty-acid amide hydrolase Target Info Inhibitor [529157]
Liver carboxylesterase Target Info Inhibitor [529157]
BioCyc Pathway Anandamide degradation
KEGG Pathway Retrograde endocannabinoid signalinghsa00983:Drug metabolism - other enzymes
Metabolic pathways
PANTHER Pathway Anandamide degradation
Pathway Interaction Database E2F transcription factor network
WikiPathways NRF2 pathway
Nuclear Receptors Meta-Pathway
Heroin metabolism
Irinotecan Pathway
Fluoropyrimidine Activity
Phase I biotransformations, non P450
References
Ref 529157Bioorg Med Chem. 2008 Feb 15;16(4):2114-30. Epub 2007 Nov 26.Influence of sulfur oxidation state and steric bulk upon trifluoromethyl ketone (TFK) binding kinetics to carboxylesterases and fatty acid amide hydrolase (FAAH).
Ref 529157Bioorg Med Chem. 2008 Feb 15;16(4):2114-30. Epub 2007 Nov 26.Influence of sulfur oxidation state and steric bulk upon trifluoromethyl ketone (TFK) binding kinetics to carboxylesterases and fatty acid amide hydrolase (FAAH).

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