Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0F4QX
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| Former ID |
DNC003338
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| Drug Name |
Thenoyltrifluoroacetone
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| Synonyms |
thenoyl trifluoro acetone; MolPort-001-660-116; STK312921; AKOS005437067; ST45092067; (2E)-1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)but-2-en-2-olate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C8H5F3O2S
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| Canonical SMILES |
C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F
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| InChI |
1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
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| InChIKey |
TXBBUSUXYMIVOS-UHFFFAOYSA-N
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| CAS Number |
CAS 326-91-0
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Liver carboxylesterase (CES1) | 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 | Top | |||
|---|---|---|---|---|
| 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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