Bioactive Compound Details
| BioID | bio2150 |
|---|---|
| Name | POBILUKAST EDAMINE |
| ChEMBL ID | CHEMBL3989735 |
| Molecular Formula | C28H44N2O6S |
| Molecular Weight | 536.74 |
| Molecular Weight (Monoisotopic) | 458.2127 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | (-)-POBILUKAST EDAMINE ANHYDROUS|POBILUKAST EDAMINE|POBILUKAST EDAMINE ANHYDROUS|POBILUKAST EDAMINE MONOHYDRATE|SK&F 104353-Q |
| Smiles | NCCN.O.O=C(O)CCS[C@H](c1ccccc1CCCCCCCCc1ccccc1)[C@@H](O)C(=O)O |
| Inchi | InChI=1S/C26H34O5S.C2H8N2.H2O/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20;3-1-2-4;/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31);1-4H2;1H2/t24-,25-;;/m1../s1 |
| Inchi Key | DIUCVZXIHDZZBV-LBDKHHEASA-N |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.18 |
| Records Key | ['POBILUKAST EDAMINE'] |
| Records Name | ['POBILUKAST EDAMINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
