Bioactive Compound Details
| BioID | bio2030 |
|---|---|
| Name | BROMADOLINE |
| ChEMBL ID | CHEMBL2110893 |
| Molecular Formula | C15H21BrN2O |
| Molecular Weight | 325.25 |
| Molecular Weight (Monoisotopic) | 324.0837 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | BROMADOLINA|BROMADOLINE |
| Smiles | CN(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1 |
| Inchi | InChI=1S/C15H21BrN2O/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11/h7-10,13-14H,3-6H2,1-2H3,(H,17,19)/t13-,14-/m0/s1 |
| Inchi Key | UFDJFJYMMIZKLG-KBPBESRZSA-N |
| Molecular Species | BASE |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -0.79 |
| Records Key | ['COVC-0678867765'] |
| Records Name | ['BROMADOLINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
