Drug Information

Drug General Information
Drug ID
D0F7NU
Former ID
DNC013499
Drug Name
1,1,1-trifluoro-3-(hexylsulfinyl)propan-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529157]
Formula
C9H15F3O2S
Canonical SMILES
CCCCCCS(=O)CC(=O)C(F)(F)F
InChI
1S/C9H15F3O2S/c1-2-3-4-5-6-15(14)7-8(13)9(10,11)12/h2-7H2,1H3
InChIKey
LSJUTEXGKKBNFU-UHFFFAOYSA-N
PubChem Compound ID
11010182
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 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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