CHEMBL3674591


SMILES OC[C@H]1OC(n2cnc3c(NC4CCCCC4OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey JNBXZKKJHPLGEA-DEPJIMBQSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 455.2

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
A1 AA1R Rabbit Adenosine A pKi 7.28 7.41 7.54 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.59 5.01 5.43 ChEMBL
A3 AA3R Rabbit Adenosine A pKi 5.59 5.59 5.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database