CHEMBL3087712


SMILES Cc1ccc(COc2ccc(CC(=O)Nc3ncnc4c3nc(-c3ccco3)n4C)cc2)cc1
InChIKey XOPAXWANUONHMP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 453.2

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 5.56 5.56 5.56 ChEMBL
A3 AA3R Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.05 7.05 7.05 ChEMBL
A1 AA1R Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database