Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0F7NU
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| Former ID |
DNC013499
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| Drug Name |
1,1,1-trifluoro-3-(hexylsulfinyl)propan-2-one
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| Synonyms |
CHEMBL155396; 1,1,1-trifluoro-3-(hexane-1-sulfinyl)propane-2-one; 479669-33-5
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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 |
C9H15F3O2S
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| Canonical SMILES |
CCCCCCS(=O)CC(=O)C(F)(F)F
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| InChI |
1S/C9H15F3O2S/c1-2-3-4-5-6-15(14)7-8(13)9(10,11)12/h2-7H2,1H3
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| InChIKey |
LSJUTEXGKKBNFU-UHFFFAOYSA-N
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| PubChem Compound 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 | Influence of sulfur oxidation state and steric bulk upon trifluoromethyl ketone (TFK) binding kinetics to carboxylesterases and fatty acid amide hy... Bioorg Med Chem. 2008 Feb 15;16(4):2114-30. | |||
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