Drug Information

Drug General Information
Drug ID
D0F4QX
Former ID
DNC003338
Drug Name
Thenoyltrifluoroacetone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551409]
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 [551409]
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 551409Zhang JG, Fariss MW: Thenoyltrifluoroacetone, a potent inhibitor of carboxylesterase activity. Biochem Pharmacol. 2002 Feb 15;63(4):751-4.
Ref 551409Zhang JG, Fariss MW: Thenoyltrifluoroacetone, a potent inhibitor of carboxylesterase activity. Biochem Pharmacol. 2002 Feb 15;63(4):751-4.

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