| BioID | bio3319 |
|---|
| Name | VABICASERIN |
|---|
| ChEMBL ID | CHEMBL2110670 |
|---|
| Molecular Formula | C15H20N2 |
|---|
| Molecular Weight | 228.34 |
|---|
| Molecular Weight (Monoisotopic) | 228.1626 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | VABICASERIN|VABICASERINA|VABICASERINE |
|---|
| Smiles | c1cc2c3c(c1)[C@H]1CCC[C@H]1CN3CCNC2 |
|---|
| Inchi | InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m0/s1 |
|---|
| Inchi Key | NPTIPEQJIDTVKR-STQMWFEESA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | 0.08 |
|---|
| Records Key | ['2, SCA-136', '3, vabicaserin', 'VABICASERIN', '116'] |
|---|
| Records Name | ['Vabicaserin', '(9aR,12aS)-4,5,6,7,9,9a,10,11,12,12a-Decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline', 'VABICASERIN', 'Vabicaserin'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
