CHEMBL577458
SMILES | Nc1nc(SCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
InChIKey | NHKVVDFZMRMNRB-XNIJJKJLSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 389.1 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.22 | 6.41 | 6.6 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |