CHEMBL4456057


SMILES O=C(Nc1nc(-c2ccccc2)nc2sc(-c3ccco3)nc12)c1ccccc1
InChIKey BTDPUZHZCQINFZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 398.1

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 7.5 7.5 7.5 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.94 5.94 5.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database