CHEMBL4167813


SMILES Nc1nc(NCc2ccccn2)nc2sc(-c3ccco3)nc12
InChIKey WEHYNQFWCGHDQS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 324.1

Drug properties

Molecular type Small molecule
Endogenous/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 7.23 7.23 7.23 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.38 9.38 9.38 ChEMBL
A1 AA1R Human Adenosine A pKi 7.55 7.55 7.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.02 7.02 7.02 ChEMBL
A2A AA2AR Human Adenosine A pIC50 8.89 9.03 9.17 ChEMBL