CHEMBL197376
| SMILES | COc1ccc(-c2nc3c(O)nc4ccc(C)cc4n3n2)cc1 |
| InChIKey | NBEMRJHTWXYMPT-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 306.1 |
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 |
| A1 | AA1R | Bovine | Adenosine | A | pKi | 5.84 | 5.84 | 5.84 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
| A1 | AA1R | Human | Adenosine | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |