CHEMBL4447861


SMILES Nc1nc(-c2cccc(O)c2)nc2sc(-c3ccccc3)nc12
InChIKey JCWKGEUAMLOCDO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 320.1

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 6.72 6.72 6.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.3 8.3 8.3 ChEMBL
A1 AA1R Human Adenosine A pKi 7.23 7.23 7.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 6.2 6.2 6.2 ChEMBL