Drug Information

Drug General Information
Drug ID
D0Q3GH
Former ID
DNC008158
Drug Name
1,1,1-trifluoro-3-(octylthio)propan-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529157]
Formula
C11H19F3OS
Canonical SMILES
CCCCCCCCSCC(=O)C(F)(F)F
InChI
1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
InChIKey
WMQHRXUKAYSPPK-UHFFFAOYSA-N
PubChem Compound ID
146089
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [529157]
Fatty-acid amide hydrolase Target Info Inhibitor [529157]
BioCyc Pathway Anandamide degradation
KEGG Pathway Drug metabolism - other enzymes
Metabolic pathwayshsa04723:Retrograde endocannabinoid signaling
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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