Chembl419306
Chemical Properties
| SMILES | CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)C1/C=C/c1ccc(N)cc1 |
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight | 432.2 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | FFUDKHMUBGWKAN-VCZPBOOASA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| A2A | AA2AR | Rat | Adenosine | A | pKi | 4.58 | 4.58 | 4.58 | ChEMBL |
| A1 | AA1R | Rat | Adenosine | A | pKi | 4.51 | 4.51 | 4.51 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |