Chembl4455589
Chemical Properties
| SMILES | COc1cc(CCNc2nc(I)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)ccc1O |
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 6 |
| Molecular weight | 523.1 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | BWDZEHXVRWXHDH-IIFPJAJBSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| A3 | AA3R | Mouse | Adenosine | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 8.04 | 8.04 | 8.04 | ChEMBL |