CHEMBL442670
SMILES | Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]nnc4c3)c2n1 |
InChIKey | JLPAUIGRIPHUJC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 333.1 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.87 | 6.87 | 6.87 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |