Bioactive Compound Details
| BioID | bio2184 |
|---|---|
| Name | BROMADOLINE MALEATE |
| ChEMBL ID | CHEMBL2106546 |
| Molecular Formula | C19H25BrN2O5 |
| Molecular Weight | 441.32 |
| Molecular Weight (Monoisotopic) | 324.0837 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | BROMADOLINE MALEATE|U-47,931E|U-47931E |
| Smiles | CN(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1.O=C(O)/C=C\C(=O)O |
| Inchi | InChI=1S/C15H21BrN2O.C4H4O4/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11;5-3(6)1-2-4(7)8/h7-10,13-14H,3-6H2,1-2H3,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14-;/m0./s1 |
| Inchi Key | XHCXKGFNPZETQY-YHPCKPBFSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.79 |
| Records Key | ['BROMADOLINE MALEATE'] |
| Records Name | ['BROMADOLINE MALEATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
