CHEMBL374685


SMILES Nc1nc(OCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey LNJMSJMYTVMMGS-LSCFUAHRSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 387.2

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
A2A AA2AR Rat Adenosine A pKi 7.77 7.77 7.77 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.89 6.89 6.89 ChEMBL
A3 AA3R Human Adenosine A pKi 7.27 7.27 7.27 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.03 8.03 8.03 ChEMBL
A1 AA1R Human Adenosine A pKi 6.66 6.66 6.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.46 5.46 5.46 ChEMBL