Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0O9EB
|
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| Former ID |
DNC013500
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| Drug Name |
3-(butylsulfinyl)-1,1,1-trifluoropropan-2-one
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C7H11F3O2S
|
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| Canonical SMILES |
CCCCS(=O)CC(=O)C(F)(F)F
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| InChI |
1S/C7H11F3O2S/c1-2-3-4-13(12)5-6(11)7(8,9)10/h2-5H2,1H3
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| InChIKey |
MFTBLUCHUFLEGX-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| 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 | 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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