Bioactive Compound Details
| BioID | bio3062 |
|---|---|
| Name | BQ 788 |
| ChEMBL ID | CHEMBL1741040 |
| Molecular Formula | C34H51N5O7 |
| Molecular Weight | 641.81 |
| Molecular Weight (Monoisotopic) | 641.3788 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | BQ 788 |
| Smiles | CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)O |
| Inchi | InChI=1S/C34H51N5O7/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t21-,22+,25-,26-,27+/m1/s1 |
| Inchi Key | LPAHKJMGDSJDRG-DJYQTOCQSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -0.21 |
| Records Key | ['BQ 788', 'BQ-788 (sodium salt)'] |
| Records Name | ['BQ 788', 'BQ-788 (sodium salt)'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
