CHEMBL400414


SMILES CCNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey RWRIXGUSCOWTAI-QTQZEZTPSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 467.2

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 7.39 7.39 7.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.4 5.4 5.4 ChEMBL
A1 AA1R Human Adenosine A pKi 5.43 5.43 5.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database