CHEMBL410066


SMILES COc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIKey JQQMPNPMWAEDPY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 474.2

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
A2B AA2BR Human Adenosine A pKi 7.36 7.36 7.36 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.92 4.92 4.92 ChEMBL
A1 AA1R Human Adenosine A pKi 6.57 6.57 6.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database