| BioID | bio3305 |
|---|
| Name | BEPOTASTINE |
|---|
| ChEMBL ID | CHEMBL1201758 |
|---|
| Molecular Formula | C21H25ClN2O3 |
|---|
| Molecular Weight | 388.9 |
|---|
| Molecular Weight (Monoisotopic) | 388.1554 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BEPOTASTINA|BEPOTASTINE|BEPREVE|BETOTASTINE |
|---|
| Smiles | O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 |
|---|
| Inchi | InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1 |
|---|
| Inchi Key | YWGDOWXRIALTES-NRFANRHFSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 29.0 |
|---|
| Bioactivities | 34.0 |
|---|
| Np Likeness Score | -0.97 |
|---|
| Records Key | ['BEPOTASTINE', 'Bepotastine', 'BEPOTASTINE', 'Bepotastine Besilate', 'bepotastine'] |
|---|
| Records Name | ['BEPOTASTINE', 'Bepotastine', 'BEPOTASTINE', 'Bepotastine Besilate', 'bepotastine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
