CHEMBL3754574
SMILES | Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)n1 |
InChIKey | KVVGKERAVCIPSV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 458.2 |
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 | 6.35 | 6.35 | 6.35 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.97 | 7.97 | 7.97 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |