CHEMBL188482


SMILES CCCNc1nc(-n2cc(-c3ccc(OC)cc3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey FQJZIIJRMRFRLT-BEBASYGKSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 481.2

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 7.22 7.22 7.22 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.48 5.48 5.48 ChEMBL
A1 AA1R Human Adenosine A pKi 5.52 5.52 5.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database