Chembl572386
Chemical Properties
| SMILES | O=C(Cc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 |
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight | 497.1 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | NTKJQGBWJRLWPG-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| A2B | AA2BR | Human | Adenosine | A | pIC50 | 5.04 | 5.04 | 5.04 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
| A2A | AA2AR | Human | Adenosine | A | pKi | 8.24 | 8.24 | 8.24 | ChEMBL |
| A1 | AA1R | Human | Adenosine | A | pKi | 7.88 | 7.88 | 7.88 | ChEMBL |