CHEMBL3752868
SMILES | CNc1nc(N)n2nc(-c3ccco3)nc2n1 |
InChIKey | WUGXJMXVHUVBQK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 231.1 |
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 | 5.81 | 5.81 | 5.81 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.31 | 7.31 | 7.31 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.59 | 5.59 | 5.59 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |