Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D00VKB
|
||||
| Former ID |
DNC008168
|
||||
| Drug Name |
3-(decylsulfinyl)-1,1,1-trifluoropropan-2-one
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C13H23F3O2S
|
||||
| Canonical SMILES |
CCCCCCCCCCS(=O)CC(=O)C(F)(F)F
|
||||
| InChI |
1S/C13H23F3O2S/c1-2-3-4-5-6-7-8-9-10-19(18)11-12(17)13(14,15)16/h2-11H2,1H3
|
||||
| InChIKey |
PWWCYKIIRMNUAY-UHFFFAOYSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Liver carboxylesterase | Target Info | Inhibitor | [1] | |
| Fatty-acid amide hydrolase | Target Info | Inhibitor | [1] | ||
| BioCyc Pathway | Anandamide degradation | ||||
| KEGG Pathway | Drug metabolism - other enzymes | ||||
| Metabolic pathwayshsa04723: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 | |||||
| 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). | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.