| BioID | bio2235 |
|---|
| Name | PRUVANSERIN HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL2104980 |
|---|
| Molecular Formula | C22H22ClFN4O |
|---|
| Molecular Weight | 412.9 |
|---|
| Molecular Weight (Monoisotopic) | 376.1699 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LSN-2420586|LSN2420586|LY2422347 HCL|PRUVANSERIN HCL|PRUVANSERIN HYDROCHLORIDE |
|---|
| Smiles | Cl.N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12 |
|---|
| Inchi | InChI=1S/C22H21FN4O.ClH/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20;/h1-7,15,25H,8-13H2;1H |
|---|
| Inchi Key | UYGNZRVLPYZLTF-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 69.0 |
|---|
| Bioactivities | 120.0 |
|---|
| Np Likeness Score | -1.45 |
|---|
| Records Key | ['pruvanserin', 'PRUVANSERIN HYDROCHLORIDE', 'PRUVANSERIN', 'pruvanserin', 'EUB0000483aCl', 'EUB0000483aCl', 'EUB0000483aCl', 'EUB0000483aCl', 'EUB0000483aCl'] |
|---|
| Records Name | ['pruvanserin', 'PRUVANSERIN HYDROCHLORIDE', 'PRUVANSERIN', 'pruvanserin', 'PRUVANSERIN', 'PRUVANSERIN', 'PRUVANSERIN', 'PRUVANSERIN', 'PRUVANSERIN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
