CHEMBL1946292
| SMILES | CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |
| InChIKey | XKWWOHCRKDXKQI-ZWDAVXSWSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 533.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| A3 | AA3R | Human | Adenosine | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |