| BioID | bio2972 |
|---|
| Name | SONEDENOSON |
|---|
| ChEMBL ID | CHEMBL1950553 |
|---|
| Molecular Formula | C18H20ClN5O5 |
|---|
| Molecular Weight | 421.84 |
|---|
| Molecular Weight (Monoisotopic) | 421.1153 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | MRE-0094|MRE0094|SONEDENOSON|Sonedenoson |
|---|
| Smiles | Nc1nc(OCCc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
|---|
| Inchi | InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1 |
|---|
| Inchi Key | WUCQGGOGHZRELS-LSCFUAHRSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | 0.47 |
|---|
| Records Key | ['22', '6, MRE-0094, sonedenoson', '3', '22, MRE0094', 'SONEDENOSON'] |
|---|
| Records Name | ['2-{6-Amino-2-[2-(4-chloro-phenyl)-ethoxy]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-[2-(4-chlorophenyl)ethoxy]adenosine', 'sonedenoson', 'Sonedenoson', 'SONEDENOSON'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
