CHEMBL423542


SMILES Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12
InChIKey KWNNEOHJLFPMKY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 359.1

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 9.23 9.23 9.23 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.95 7.95 7.95 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.31 7.31 7.31 ChEMBL
A3 AA3R Human Adenosine A pKi 5.57 6.03 6.37 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.74 9.79 9.8 ChEMBL
A1 AA1R Human Adenosine A pKi 8.52 8.52 8.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database