Bioactive Compound Details
| BioID | bio2088 |
|---|---|
| Name | SPIRADOLINE MESYLATE |
| ChEMBL ID | CHEMBL2218921 |
| Molecular Formula | C23H34Cl2N2O5S |
| Molecular Weight | 521.51 |
| Molecular Weight (Monoisotopic) | 424.1684 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | SPIRADOLINE MESILATE|SPIRADOLINE MESYLATE|U-62066E |
| Smiles | CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCC2(CCCO2)CC1N1CCCC1.CS(=O)(=O)O |
| Inchi | InChI=1S/C22H30Cl2N2O2.CH4O3S/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26;1-5(2,3)4/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3;1H3,(H,2,3,4) |
| Inchi Key | FHEZDPDAYTVKKG-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.12 |
| Records Key | ['SPIRADOLINE MESYLATE'] |
| Records Name | ['SPIRADOLINE MESYLATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
