CHEMBL374760
SMILES | Nc1nc(OCCc2ccc3ccccc3c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
InChIKey | LCDBQJZQQFLFGG-QTQZEZTPSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 437.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Human | Adenosine | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.79 | 7.79 | 7.79 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.89 | 6.89 | 6.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pEC50 | 5.84 | 5.84 | 5.84 | ChEMBL |