| BioID | bio3198 |
|---|
| Name | TOVINONTRINE |
|---|
| ChEMBL ID | CHEMBL4297290 |
|---|
| Molecular Formula | C21H26N6O2 |
|---|
| Molecular Weight | 394.48 |
|---|
| Molecular Weight (Monoisotopic) | 394.2117 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 68722|AF-68722|AF68722|CK-1598|CK1598|IMR-687|TOVINONTRINA|TOVINONTRINE |
|---|
| Smiles | C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1cn2c(C3CCOCC3)ncc2c(=O)[nH]1 |
|---|
| Inchi | InChI=1S/C21H26N6O2/c1-14-10-26(13-19-22-5-2-6-23-19)11-16(14)17-12-27-18(21(28)25-17)9-24-20(27)15-3-7-29-8-4-15/h2,5-6,9,12,14-16H,3-4,7-8,10-11,13H2,1H3,(H,25,28)/t14-,16-/m1/s1 |
|---|
| Inchi Key | GWGNPYYVGANHRJ-GDBMZVCRSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.76 |
|---|
| Records Key | ['TOVINONTRINE', '52', 'TOVINONTRINE'] |
|---|
| Records Name | ['TOVINONTRINE', '6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-(tetrahydro-2H-pyran-4-yl)imidazo[1,5-a]pyrazin-8(7H)-one', 'TOVINONTRINE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
