| BioID | bio3222 |
|---|
| Name | TRABODENOSON |
|---|
| ChEMBL ID | CHEMBL3545407 |
|---|
| Molecular Formula | C15H20N6O6 |
|---|
| Molecular Weight | 380.36 |
|---|
| Molecular Weight (Monoisotopic) | 380.1444 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | INNO-8875|INO-8875|PJ-875|TRABODENOSON|Trabodenoson |
|---|
| Smiles | O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O |
|---|
| Inchi | InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 |
|---|
| Inchi Key | AQLVRTWKJDTWQQ-SDBHATRESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | 0.25 |
|---|
| Records Key | ['BDBM97464', 'BDBM97464', '14; INO-8875', 'TRABODENOSON', 'AR-5; INO8875', '18; INO-8875'] |
|---|
| Records Name | ['US8470800, A::US8609833, 17', 'US8470800, A::US8609833, 17', '((2R,3S,4R,5R)-5-(6-(cyclopentylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl nitrate', 'TRABODENOSON', '((2R,3S,4R,5R)-5-(6-(cyclopentylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl nitrate', 'Trabodenson; [(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl nitrate'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
