Adenosine receptors; A1 & A2
Target ID: CHEMBL2096679
Organism: Homo sapiens
Type: SELECTIVITY GROUP
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| CAFFEINE | Cn1c(=O)c2c(ncn2C)n(C)c1=O | Vdss: 0.61 L.kg-1 |  |
| ADENOSINE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | Km: 42000.0 nM |  |
| THEOPHYLLINE | Cn1c(=O)c2[nH]cnc2n(C)c1=O | ED50: 18.5 mg.kg-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| O=c1[nH]c(=O)c2[nH]cnc2[nH]1 | None | 44 |  |
| Cn1c(=O)c2[nH]cnc2n(C)c1=O | None | 39 |  |
| c1ncc2ncn([C@H]3CCCO3)c2n1 | 4.38 | 38 |  |
| [13*][C@@H]1O[C@H]([13*])[C@@H](O)[C@H]1O | 4.38 | 38 |  |
| [8*]CO | 4.38 | 38 |  |