CHEMBL3958838


SMILES COc1ccccc1CNc1nc(N)c2nc(-c3ccco3)sc2n1
InChIKey POWSOBQUMUYEQU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 353.1

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 7.44 7.44 7.44 ChEMBL
A1 AA1R Human Adenosine A pKi 8.45 8.45 8.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.5 6.5 6.5 ChEMBL
A2A AA2AR Human Adenosine A pIC50 10.29 10.29 10.29 ChEMBL