Bioactive Compound Details
| BioID | bio3268 |
|---|---|
| Name | EVOCALCET |
| ChEMBL ID | CHEMBL4297621 |
| Molecular Formula | C24H26N2O2 |
| Molecular Weight | 374.48 |
| Molecular Weight (Monoisotopic) | 374.1994 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | EVOCALCET|KHK-7580|KHK7580|MT-4580 |
| Smiles | C[C@@H](N[C@H]1CCN(c2ccc(CC(=O)O)cc2)C1)c1cccc2ccccc12 |
| Inchi | InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1 |
| Inchi Key | RZNUIYPHQFXBAN-XLIONFOSSA-N |
| Molecular Species | ZWITTERION |
| Targets | 2.0 |
| Bioactivities | 13.0 |
| Np Likeness Score | -0.99 |
| Records Key | ['EVOCALCET', '1b'] |
| Records Name | ['EVOCALCET', 'Evocalcet'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
