CHEMBL4159215


SMILES Nc1nc(NCc2ccsc2)nc2sc(-c3ccco3)nc12
InChIKey PQWDMDZIOAGQDU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 329.0

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
A2A AA2AR Human Adenosine A pKi 9.6 9.6 9.6 ChEMBL
A1 AA1R Human Adenosine A pKi 8.09 8.09 8.09 ChEMBL
A3 AA3R Human Adenosine A pKi 8.5 8.5 8.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 8.05 8.05 8.05 ChEMBL
A2A AA2AR Human Adenosine A pIC50 9.39 9.41 9.44 ChEMBL