CHEMBL3932413


SMILES Nc1nc(NCc2cccc(O)c2)nc2sc(-c3ccco3)nc12
InChIKey CXAWOAYZDCLTRY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 339.1

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 7.26 7.26 7.26 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.7 7.7 7.7 ChEMBL
A1 AA1R Human Adenosine A pKi 7.57 7.57 7.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.62 7.62 7.62 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.57 7.62 7.66 ChEMBL