CHEMBL4068787


SMILES Cc1cc(C)n(C[C@H]2O[C@@H](n3cnc4c(NC5CC6CCC5C6)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey CXQNHVMLQKJWTA-YTUIEBAKSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 473.2

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
A3 AA3R Human Adenosine A pKi 5.84 5.84 5.84 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.03 5.03 5.03 ChEMBL
A1 AA1R Human Adenosine A pKi 8.36 8.36 8.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 6.87 6.87 6.87 ChEMBL