CHEMBL416684


SMILES Nc1nc2c(cnn2Cc2ccc(O)cc2)c2nc(-c3ccco3)nn12
InChIKey NCUYJDMFUAXBHH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 347.1

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 7.28 7.28 7.28 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.87 4.87 4.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 6.83 6.83 6.83 ChEMBL