Bioactive Compound Details
| BioID | bio2789 |
|---|---|
| Name | DESMETRAMADOL |
| ChEMBL ID | CHEMBL4650315 |
| Molecular Formula | C15H23NO2 |
| Molecular Weight | 249.35 |
| Molecular Weight (Monoisotopic) | 249.1729 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | DESMETRAMADOL|MONO-O-DEMETHYLTRAMADOL|O-DEMETHYLTRAMADOL|O-DESMETHYL TRAMADOL|O-DESMETHYLTRAMADOL|O-DSMT |
| Smiles | CN(C)CC1CCCCC1(O)c1cccc(O)c1 |
| Inchi | InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3 |
| Inchi Key | UWJUQVWARXYRCG-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.9 |
| Records Key | ['DESMETRAMADOL'] |
| Records Name | ['DESMETRAMADOL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
