| BioID | bio2591 |
|---|
| Name | ADATANSERIN |
|---|
| ChEMBL ID | CHEMBL2111138 |
|---|
| Molecular Formula | C21H31N5O |
|---|
| Molecular Weight | 369.51 |
|---|
| Molecular Weight (Monoisotopic) | 369.2529 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ADATANSERIN|ADATANSERINA|ADATANSERINE|WY-50324 |
|---|
| Smiles | O=C(NCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2 |
|---|
| Inchi | InChI=1S/C21H31N5O/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20/h1-3,16-18H,4-15H2,(H,22,27) |
|---|
| Inchi Key | HPFLVTSWRFCPCV-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 8.0 |
|---|
| Np Likeness Score | -1.63 |
|---|
| Records Key | ['adatanserin', 'ADATANSERIN', 'adatanserin', 'COVC-0678007230', 'adatanserin'] |
|---|
| Records Name | ['adatanserin', 'ADATANSERIN', 'adatanserin', 'ADATANSERIN', 'adatanserin'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
