Drug Information

Drug General Information
Drug ID
D0I7FF
Former ID
DNC008164
Drug Name
1,1,1-trifluorododecan-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529157]
Formula
C12H21F3O
Canonical SMILES
CCCCCCCCCCC(=O)C(F)(F)F
InChI
1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3
InChIKey
YXTBWTOMSMZIMA-UHFFFAOYSA-N
PubChem Compound ID
176445
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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