| BioID | bio2182 |
|---|
| Name | CILADOPA |
|---|
| ChEMBL ID | CHEMBL2110793 |
|---|
| Molecular Formula | C21H26N2O4 |
|---|
| Molecular Weight | 370.45 |
|---|
| Molecular Weight (Monoisotopic) | 370.1893 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CILADOPA |
|---|
| Smiles | COc1ccc([C@H](O)CN2CCN(c3cccccc3=O)CC2)cc1OC |
|---|
| Inchi | InChI=1S/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/m1/s1 |
|---|
| Inchi Key | SGEKLKJQLHJVDK-LJQANCHMSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -0.62 |
|---|
| Records Key | ['16'] |
|---|
| Records Name | ['2-{4-[2-(3,4-Dimethoxy-phenyl)-2-hydroxy-ethyl]-piperazin-1-yl}-cyclohepta-2,4,6-trienone'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
