| BioID | bio3228 |
|---|
| Name | PRUVANSERIN |
|---|
| ChEMBL ID | CHEMBL1215661 |
|---|
| Molecular Formula | C22H21FN4O |
|---|
| Molecular Weight | 376.44 |
|---|
| Molecular Weight (Monoisotopic) | 376.1699 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | EMD 390920|EMD-281014|EMD-390920|EMD390920|LSN-2422347|LSN2422347|LY-2420586|LY-2422347|LY-2422347 FREE BASE|LY2420586|LY2422347|PRUVANSERIN|PRUVANSERINA|PRUVANSERINE|Pruvanserin |
|---|
| Smiles | N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12 |
|---|
| Inchi | InChI=1S/C22H21FN4O/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 |
|---|
| Inchi Key | AQRLDDAFYYAIJP-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | -1.45 |
|---|
| Records Key | ['Pruvanserin', 'PRUVANSERIN', 'PRUVANSERIN', 'pruvanserin'] |
|---|
| Records Name | ['Pruvanserin', 'PRUVANSERIN', 'PRUVANSERIN', 'pruvanserin'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
