CHEMBL3752621


SMILES O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12
InChIKey BKGGNZPNCWNCBQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 426.2

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 7.53 7.53 7.53 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.84 8.84 8.84 ChEMBL
A1 AA1R Human Adenosine A pKi 6.51 6.51 6.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.36 5.36 5.36 ChEMBL