| BioID | bio1994 |
|---|
| Name | REGADENOSON |
|---|
| ChEMBL ID | CHEMBL3989695 |
|---|
| Molecular Formula | C15H20N8O6 |
|---|
| Molecular Weight | 408.38 |
|---|
| Molecular Weight (Monoisotopic) | 390.14 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CVT-3146|LEXISCAN|RAPISCAN|REGADENOSON|REGADENOSON HYDRATE|REGADENOSON MONOHYDRATE|Rapiscan |
|---|
| Smiles | CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1.O |
|---|
| Inchi | InChI=1S/C15H18N8O5.H2O/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14;/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21);1H2/t7-,9-,10-,14-;/m1./s1 |
|---|
| Inchi Key | CDQVVPUXSPZONN-WPPLYIOHSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.15 |
|---|
| Records Key | ['REGADENOSON', 'REGADENOSON', 'REGADENOSON', 'REGADENOSON'] |
|---|
| Records Name | ['REGADENOSON', 'REGADENOSON', 'REGADENOSON', 'REGADENOSON'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
