CHEMBL4559969


SMILES Nc1nc(-c2ccco2)nc2sc(-c3ccco3)nc12
InChIKey YXLDLDOAWIUYIS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 284.0

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
A3 AA3R Human Adenosine A pKi 7.0 7.0 7.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.47 8.47 8.47 ChEMBL
A1 AA1R Human Adenosine A pKi 7.16 7.16 7.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 6.52 6.52 6.52 ChEMBL