| BioID | bio2127 |
|---|
| Name | BENANSERIN HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL1731319 |
|---|
| Molecular Formula | C19H23ClN2O |
|---|
| Molecular Weight | 330.86 |
|---|
| Molecular Weight (Monoisotopic) | 294.1732 |
|---|
| Type | Small molecule |
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| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BAS|BENANSERIN HCL|BENANSERIN HYDROCHLORIDE|BENZYL ANTISEROTONIN|NSC-17384|WOOLLEY'S ANTISEROTONIN |
|---|
| Smiles | COc1ccc2c(c1)c(CCN)c(C)n2Cc1ccccc1.Cl |
|---|
| Inchi | InChI=1S/C19H22N2O.ClH/c1-14-17(10-11-20)18-12-16(22-2)8-9-19(18)21(14)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,20H2,1-2H3;1H |
|---|
| Inchi Key | HEVSQLIUCMHBPN-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 14.0 |
|---|
| Bioactivities | 23.0 |
|---|
| Np Likeness Score | -0.69 |
|---|
| Records Key | ['BENANSERIN HYDROCHLORIDE', 'SID26659944', '41'] |
|---|
| Records Name | ['BENANSERIN HYDROCHLORIDE', 'SID26659944', '2-(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)ethanaminium chloride'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
