| BioID | bio2860 |
|---|
| Name | TERBOGREL |
|---|
| ChEMBL ID | CHEMBL281398 |
|---|
| Molecular Formula | C23H27N5O2 |
|---|
| Molecular Weight | 405.5 |
|---|
| Molecular Weight (Monoisotopic) | 405.2165 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BIBV 308 SE|BIBV-308-SE|BIBV-308SE|TERBOGREL |
|---|
| Smiles | CC(C)(C)N/C(=N\C#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 |
|---|
| Inchi | InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+ |
|---|
| Inchi Key | XUTLOCQNGLJNSA-RGVLZGJSSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -0.65 |
|---|
| Records Key | ['32', 'TERBOGREL', 'TERBOGREL'] |
|---|
| Records Name | ['6-{3-[1-(tert-butylamino)-2-cyano-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid', 'TERBOGREL', 'TERBOGREL'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
