CHEMBL221363


SMILES Nc1nc(OCCn2cnc3ccccc32)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey KTEOQJBVVWABJA-SCFUHWHPSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 427.2

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 5.68 5.68 5.68 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.41 5.41 5.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database