Chembl4470622
Chemical Properties
| SMILES | O=C(Nc1nc(-c2ccccc2)nc2sc(-c3ccccc3)nc12)c1ccccc1 |
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight | 408.1 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | YEGJMNQUFGQRLK-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| A3 | AA3R | Human | Adenosine | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
| A2A | AA2AR | Human | Adenosine | A | pKi | 6.98 | 6.98 | 6.98 | ChEMBL |
| A1 | AA1R | Human | Adenosine | A | pKi | 5.83 | 5.83 | 5.83 | ChEMBL |