CHEMBL2326829


SMILES COc1ccc(/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl
InChIKey JNEZRDXYUBGOKN-PLCCKCANSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 449.1

Drug properties

Molecular type Small molecule
Endogenous/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 7.27 7.27 7.27 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.49 7.49 7.49 ChEMBL
A3 AA3R Human Adenosine A pKi 7.29 7.29 7.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database