Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D01NDE
|
||||
| Former ID |
DNC008159
|
||||
| Drug Name |
2,2-dimethyl-3-methyleneheptadecane
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C15H27F3OS
|
||||
| Canonical SMILES |
CCCCCCCCCCCCSCC(=O)C(F)(F)F
|
||||
| InChI |
1S/C15H27F3OS/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14(19)15(16,17)18/h2-13H2,1H3
|
||||
| InChIKey |
NACMLRDTSWENRZ-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.