Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Z7WK
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| Former ID |
DNC008161
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| Drug Name |
1,1,1-trifluoro-3-(hexylthio)propan-2-one
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| Synonyms |
CHEMBL440542; 133311-65-6; 1,1,1-trifluoro-3-hexylsulfanylpropan-2-one; 2-Propanone, 1,1,1-trifluoro-3-(hexylthio)-; ACMC-20muvv; CTK0C0416; DTXSID00434189
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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 |
C9H15F3OS
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| Canonical SMILES |
CCCCCCSCC(=O)C(F)(F)F
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| InChI |
1S/C9H15F3OS/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3
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| InChIKey |
JKYLDTTWQQEIHX-UHFFFAOYSA-N
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| CAS Number |
CAS 133311-65-6
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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 | |||
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| 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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