CHEMBL186443


SMILES CNc1nc(-n2cc(-c3cccnc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey AERVIDMZGBOLAP-PZGKNFOESA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 424.2

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 8.7 8.7 8.7 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.39 5.39 5.39 ChEMBL
A1 AA1R Human Adenosine A pKi 5.75 5.75 5.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database