Drug General Information
Drug ID	D0F4QX
Former ID	DNC003338
Drug Name	Thenoyltrifluoroacetone
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[1]
Structure		Download 2D MOL 3D MOL
Formula	C8H4F3O2S-
Canonical SMILES	C1=CSC(=C1)C(=CC(=O)C(F)(F)F)[O-]
InChI	1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-4,12H/p-1/b5-4-
InChIKey	NRUKQBVKKFFCSN-PLNGDYQASA-M
CAS Number	CAS 326-91-0
PubChem Compound ID	17024757
PubChem Substance ID	32293994, 57393718, 57950704, 60814236, 88703105, 118586964, 131719694, 139048322, 144069933, 164810331
Target and Pathway
Target(s)	Liver carboxylesterase	Target Info	Inhibitor	[1]
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 1	Zhang JG, Fariss MW: Thenoyltrifluoroacetone, a potent inhibitor of carboxylesterase activity. Biochem Pharmacol. 2002 Feb 15;63(4):751-4.

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