Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Q3GH
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| Former ID |
DNC008158
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| Drug Name |
1,1,1-trifluoro-3-(octylthio)propan-2-one
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| Synonyms |
89820-00-8; 3-Octylthio-1,1,1-trifluoro-2-propanone; CHEMBL89506; 2-Propanone,1,1,1-trifluoro-3-(octylthio)-; 1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE; 3-Octylthio-1,1,1-trifluoropropan-2-one; 2-Propanone, 1,1,1-trifluoro-3-(octylthio)-; 1,1,1-trifluoro-3-(octylsulfanyl)propan-2-one; 3-Otfp; 1,1,1-Trifluoro-3-octylsulfanyl-propan-2-one; OTFP; ACMC-20lqwm; AC1L3SIW; SCHEMBL4224604; CTK5G3533; DTXSID40237914; WMQHRXUKAYSPPK-UHFFFAOYSA-N; ZINC34803731; BDBM50371970; AKOS028111069; DB08612; 1,1,1-Trifluoro-3-(octylsulfanyl)acetone
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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 |
C11H19F3OS
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| Canonical SMILES |
CCCCCCCCSCC(=O)C(F)(F)F
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| InChI |
1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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| InChIKey |
WMQHRXUKAYSPPK-UHFFFAOYSA-N
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| CAS Number |
CAS 89820-00-8
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Fatty acid amide hydrolase (FAAH) | Target Info | Inhibitor | [1] |
| Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] | |
| BioCyc | Anandamide degradation | |||
| KEGG Pathway | Drug metabolism - other enzymes | |||
| Metabolic pathways | ||||
| Retrograde endocannabinoid signaling | ||||
| Panther Pathway | Anandamide degradation | |||
| 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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