Bioactive Compound Details
| BioID | bio2459 |
|---|---|
| Name | TOLPADOL |
| ChEMBL ID | CHEMBL2105547 |
| Molecular Formula | C28H26N4O2 |
| Molecular Weight | 450.54 |
| Molecular Weight (Monoisotopic) | 450.2056 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | TOLPADOL |
| Smiles | Cc1ccccc1C(=O)NC(c1ccncc1)C(NC(=O)c1ccccc1C)c1ccncc1 |
| Inchi | InChI=1S/C28H26N4O2/c1-19-7-3-5-9-23(19)27(33)31-25(21-11-15-29-16-12-21)26(22-13-17-30-18-14-22)32-28(34)24-10-6-4-8-20(24)2/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34) |
| Inchi Key | XOCZGIFMFBFPGQ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.65 |
| Records Key | ['TOLPADOL'] |
| Records Name | ['TOLPADOL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
