Bioactive Compound Details
| BioID | bio2454 |
|---|---|
| Name | CABASTINE |
| ChEMBL ID | CHEMBL2218900 |
| Molecular Formula | C26H29FN2O2 |
| Molecular Weight | 420.53 |
| Molecular Weight (Monoisotopic) | 420.2213 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | CABASTINA|CABASTINE |
| Smiles | CC1CN(C2CCC(C#N)(c3ccc(F)cc3)CC2)CCC1(C(=O)O)c1ccccc1 |
| Inchi | InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31) |
| Inchi Key | ZCGOMHNNNFPNMX-UHFFFAOYSA-N |
| Molecular Species | ZWITTERION |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.12 |
| Records Key | ['CABASTINE'] |
| Records Name | ['CABASTINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
