| BioID | bio2271 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1915195 |
|---|
| Molecular Formula | C26H23ClN2O3 |
|---|
| Molecular Weight | 446.93 |
|---|
| Molecular Weight (Monoisotopic) | 411.1703 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-N-Benzylberberine Chloride |
|---|
| Smiles | COc1ccc2cc3[n+](cc2c1NCc1ccccc1)CCc1cc2c(cc1-3)OCO2.[Cl-] |
|---|
| Inchi | InChI=1S/C26H22N2O3.ClH/c1-29-23-8-7-18-11-22-20-13-25-24(30-16-31-25)12-19(20)9-10-28(22)15-21(18)26(23)27-14-17-5-3-2-4-6-17;/h2-8,11-13,15H,9-10,14,16H2,1H3;1H |
|---|
| Inchi Key | JOERVSRHXQUDKS-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 0.59 |
|---|
| Records Key | ['6a'] |
|---|
| Records Name | ['9-N-Benzylberberine chloride'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
