CHEMBL22241


SMILES Nc1nc2c(cnn2CCCc2ccc([N+](=O)[O-])cc2)c2nc(-c3ccco3)nn12
InChIKey OAQZQVKTUMEBRY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 404.1

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
A1 AA1R Human Adenosine A pKi 5.99 5.99 5.99 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database