Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0FO4J
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| Former ID |
DNC013497
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| Drug Name |
3-(butylthio)-1,1,1-trifluoropropan-2-one
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| Synonyms |
3-Butylsulfanyl-1,1,1-trifluoropropan-2-one; 34509-08-5; CHEMBL402615; 3-(butylthio)-1,1,1-trifluoropropan-2-one; AC1L4AHE; 3-butylsulfanyl-1,1,1-trifluoro-propan-2-one; CTK1C3366; DTXSID90188068; BDBM50371973
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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 |
C7H11F3OS
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| Canonical SMILES |
CCCCSCC(=O)C(F)(F)F
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| InChI |
1S/C7H11F3OS/c1-2-3-4-12-5-6(11)7(8,9)10/h2-5H2,1H3
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| InChIKey |
PEBSSHOGFAFMQB-UHFFFAOYSA-N
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| CAS Number |
CAS 34509-08-5
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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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