Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01NDE
|
|||
| Former ID |
DNC008159
|
|||
| Drug Name |
2,2-dimethyl-3-methyleneheptadecane
|
|||
| Synonyms |
CHEMBL270375; 2-Propanone, 3-(dodecylthio)-1,1,1-trifluoro-; 92682-28-5; ACMC-20lwey; CTK3F7670; DTXSID90467547; BDBM50371972
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | 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
|
|||
| CAS Number |
CAS 92682-28-5
|
|||
| 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. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.