Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D02SDT
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| Former ID |
DNC008165
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| Drug Name |
3-(dodecylsulfonyl)-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 |
|||
| Formula |
C15H27F3O3S
|
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| Canonical SMILES |
CCCCCCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
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| InChI |
1S/C15H27F3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-22(20,21)13-14(19)15(16,17)18/h2-13H2,1H3
|
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| InChIKey |
JUVLUOYDHJEJIQ-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Fatty-acid amide hydrolase | Target Info | Inhibitor | [1] | |
| Liver carboxylesterase | Target Info | Inhibitor | [1] | ||
| BioCyc Pathway | Anandamide degradation | ||||
| KEGG Pathway | Retrograde endocannabinoid signalinghsa00983:Drug metabolism - other enzymes | ||||
| Metabolic pathways | |||||
| 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 | |||||
| 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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