CHEMBL1935749


SMILES COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1
InChIKey OGKVNXXLANFINB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 493.2

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
A3 AA3R Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.83 6.83 6.83 ChEMBL
A1 AA1R Human Adenosine A pKi 6.75 6.75 6.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.13 6.13 6.13 ChEMBL