| BioID | bio2451 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2313431 |
|---|
| Molecular Formula | C24H24BrNO4 |
|---|
| Molecular Weight | 470.36 |
|---|
| Molecular Weight (Monoisotopic) | 390.17 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-O-Isoprenylberberine Bromide |
|---|
| Smiles | COc1ccc2cc3[n+](cc2c1OCC=C(C)C)CCc1cc2c(cc1-3)OCO2.[Br-] |
|---|
| Inchi | InChI=1S/C24H24NO4.BrH/c1-15(2)7-9-27-24-19-13-25-8-6-17-11-22-23(29-14-28-22)12-18(17)20(25)10-16(19)4-5-21(24)26-3;/h4-5,7,10-13H,6,8-9,14H2,1-3H3;1H/q+1;/p-1 |
|---|
| Inchi Key | MDEYFLSJCDLCOG-UHFFFAOYSA-M |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 1.5 |
|---|
| Records Key | ['6'] |
|---|
| Records Name | ['9-O-Isoprenylberberine bromide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
