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]
Structure		Download 2D MOL 3D MOL
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 529157	Bioorg 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 529157	Bioorg 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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