Drug General Information
Drug ID	D04JVA
Former ID	DNC013498
Drug Name	1,1,1-trifluoro-3-(hexylsulfonyl)propan-2-one
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529157]
Structure		Download 2D MOL 3D MOL
Formula	C9H15F3O3S
Canonical SMILES	CCCCCCS(=O)(=O)CC(=O)C(F)(F)F
InChI	1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3
InChIKey	MAGOHNFKWBKUKQ-UHFFFAOYSA-N
PubChem Compound ID	11821337
Target and Pathway
Target(s)	Liver carboxylesterase	Target Info	Inhibitor	[529157]
KEGG Pathway	Drug metabolism - other enzymes
	Metabolic pathways
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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