Bioactive Compound Details
| BioID | bio2540 |
|---|---|
| Name | PRAVADOLINE MALEATE |
| ChEMBL ID | CHEMBL2104855 |
| Molecular Formula | C27H30N2O7 |
| Molecular Weight | 494.54 |
| Molecular Weight (Monoisotopic) | 378.1943 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | PRAVADOLINE MALEATE|WIN 48,098-6|WIN-48098-6 |
| Smiles | COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1.O=C(O)/C=C\C(=O)O |
| Inchi | InChI=1S/C23H26N2O3.C4H4O4/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24;5-3(6)1-2-4(7)8/h3-10H,11-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| Inchi Key | DOYGKOLTUWPTGK-BTJKTKAUSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.07 |
| Records Key | ['PRAVADOLINE MALEATE'] |
| Records Name | ['PRAVADOLINE MALEATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
