Chembl100382
Chemical Properties
| SMILES | O=C(CCc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 |
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight | 417.1 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | PMFILAFCPCLAGX-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| A2A | AA2AR | Rat | Adenosine | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
| A1 | AA1R | Rat | Adenosine | A | pKi | 7.34 | 7.34 | 7.34 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 7.63 | 7.63 | 7.63 | ChEMBL |