CHEMBL422820


SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1
InChIKey ZAEGMWXQQUWCTO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 494.2

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 5.85 5.85 5.85 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.89 5.89 5.89 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.09 7.09 7.09 ChEMBL
A3 AA3R Human Adenosine A pKi 6.01 8.42 9.01 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.91 6.92 6.92 ChEMBL
A1 AA1R Human Adenosine A pKi 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.86 7.88 7.91 ChEMBL