Bioactive Compound Details
| BioID | bio2682 |
|---|---|
| Name | BIVAMELAGON |
| ChEMBL ID | CHEMBL5314508 |
| Molecular Formula | C35H53ClN4O4 |
| Molecular Weight | 629.29 |
| Molecular Weight (Monoisotopic) | 628.3755 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | BIVAMELAGON |
| Smiles | CC(C)C(=O)N([C@H]1C[C@@H](C(=O)N2CCOCC2)N(C(=O)[C@@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)cc2)C1)[C@H]1CC[C@@H](C)CC1 |
| Inchi | InChI=1S/C35H53ClN4O4/c1-23(2)32(41)40(27-13-7-24(3)8-14-27)28-21-30(34(43)37-17-19-44-20-18-37)38(22-28)33(42)29-15-16-39(35(4,5)6)31(29)25-9-11-26(36)12-10-25/h9-12,23-24,27-31H,7-8,13-22H2,1-6H3/t24-,27+,28-,29+,30-,31-/m0/s1 |
| Inchi Key | CQELVXPCSPKSBN-YMVOSINKSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.78 |
| Records Key | ['BIVAMELAGON'] |
| Records Name | ['BIVAMELAGON'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
