| BioID | bio2308 |
|---|
| Name | BETAMETHADOL |
|---|
| ChEMBL ID | CHEMBL162243 |
|---|
| Molecular Formula | C21H29NO |
|---|
| Molecular Weight | 311.47 |
|---|
| Molecular Weight (Monoisotopic) | 311.2249 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | .BETA.-METHADOL|.BETA.-METHADOL, (-)-|ACSCN-9609|BETAMETADOL|BETAMETHADOL|Betamethadol|IDS-NB-005 |
|---|
| Smiles | CC[C@H](O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 |
|---|
| Inchi | InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20+/m1/s1 |
|---|
| Inchi Key | QIRAYNIFEOXSPW-XLIONFOSSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -0.05 |
|---|
| Records Key | ['(3S,6R)-methadol', 'BETAMETHADOL', 'COVC-1212749706'] |
|---|
| Records Name | ['6-Dimethylamino-4,4-diphenyl-heptan-3-ol ((3S,6R)-methadol)', 'BETAMETHADOL', 'BETAMETHADOL'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
