CHEMBL4102630


SMILES Cc1cc(C)n(C[C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey GBUQCJFFLQLKRJ-QTQZEZTPSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 473.1

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 5.56 5.56 5.56 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.17 5.17 5.17 ChEMBL
A1 AA1R Human Adenosine A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database