CHEMBL3950142


SMILES Nc1nc(NCc2ccccc2)nc2sc(-c3ccco3)nc12
InChIKey QZEPJEUDQPCBBQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 323.1

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 7.43 7.43 7.43 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.66 7.66 7.66 ChEMBL
A1 AA1R Human Adenosine A pKi 7.35 7.35 7.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.5 7.5 7.5 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.54 7.64 7.75 ChEMBL