| BioID | bio2254 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2313428 |
|---|
| Molecular Formula | C23H24BrNO4 |
|---|
| Molecular Weight | 458.35 |
|---|
| Molecular Weight (Monoisotopic) | 378.17 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-O-Butylberberine Bromide |
|---|
| Smiles | CCCCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2.[Br-] |
|---|
| Inchi | InChI=1S/C23H24NO4.BrH/c1-3-4-9-26-23-18-13-24-8-7-16-11-21-22(28-14-27-21)12-17(16)19(24)10-15(18)5-6-20(23)25-2;/h5-6,10-13H,3-4,7-9,14H2,1-2H3;1H/q+1;/p-1 |
|---|
| Inchi Key | CUQSCFDSWDGLDZ-UHFFFAOYSA-M |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 1.08 |
|---|
| Records Key | ['3'] |
|---|
| Records Name | ['9-O-Butylberberine bromide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
