Bioactive Compound Details
| BioID | bio2149 |
|---|---|
| Name | BAMIRASTINE |
| ChEMBL ID | CHEMBL2107732 |
| Molecular Formula | C31H37N5O3 |
| Molecular Weight | 527.67 |
| Molecular Weight (Monoisotopic) | 527.2896 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | BAMIRASTINA|BAMIRASTINE|TAK-427|TAK427 |
| Smiles | CC(C)(C(=O)O)c1cn2nc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)ccc2n1 |
| Inchi | InChI=1S/C31H37N5O3/c1-31(2,30(37)38)26-22-36-28(33-26)15-14-27(34-36)32-18-9-19-35-20-16-25(17-21-35)39-29(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-15,22,25,29H,9,16-21H2,1-2H3,(H,32,34)(H,37,38) |
| Inchi Key | WTBRUSNNZKWTMI-UHFFFAOYSA-N |
| Molecular Species | ZWITTERION |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.01 |
| Records Key | ['BAMIRASTINE'] |
| Records Name | ['BAMIRASTINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
