Bioactive Compound Details
| BioID | bio3285 |
|---|---|
| Name | CEDIROGANT |
| ChEMBL ID | CHEMBL5095174 |
| Molecular Formula | C24H20Cl3F3N2O3 |
| Molecular Weight | 547.79 |
| Molecular Weight (Monoisotopic) | 546.0492 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ABBV-157|ABV-157|CEDIROGANT |
| Smiles | O=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(Cl)c43)c2Cl)CC1 |
| Inchi | InChI=1S/C24H20Cl3F3N2O3/c25-18-2-1-16(23(35)31-6-3-13(4-7-31)9-20(33)34)21(27)17(18)12-32-8-5-14-10-15(24(28,29)30)11-19(26)22(14)32/h1-2,5,8,10-11,13H,3-4,6-7,9,12H2,(H,33,34) |
| Inchi Key | MNEOHCYSHVKLIC-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.13 |
| Records Key | ['CEDIROGANT', 'CEDIROGANT'] |
| Records Name | ['CEDIROGANT', 'CEDIROGANT'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
