Bioactive Compound Details
| BioID | bio2291 |
|---|---|
| Name | RETEZOROGANT |
| ChEMBL ID | CHEMBL5095081 |
| Molecular Formula | C23H33ClN2O3 |
| Molecular Weight | 420.98 |
| Molecular Weight (Monoisotopic) | 420.218 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | RETEZOROGANT|RETEZOROGANT |
| Smiles | CC(C)C1=CN(CCC(=O)O)C(=O)N[C@@]1(C)c1ccc(CCC(C)(C)C)c(Cl)c1 |
| Inchi | InChI=1S/C23H33ClN2O3/c1-15(2)18-14-26(12-10-20(27)28)21(29)25-23(18,6)17-8-7-16(19(24)13-17)9-11-22(3,4)5/h7-8,13-15H,9-12H2,1-6H3,(H,25,29)(H,27,28)/t23-/m0/s1 |
| Inchi Key | NVHZEOLMCJUIID-QHCPKHFHSA-N |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.21 |
| Records Key | ['RETEZOROGANT'] |
| Records Name | ['RETEZOROGANT'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
