CHEMBL103559
SMILES | CCOc1cc(-c2ccccc2)nc2nc(Br)ccc12 |
InChIKey | KLQJOMKIBCTFIK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 328.0 |
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 | Bovine | Adenosine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.54 | 5.78 | 6.01 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.0 | 6.65 | 7.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |