CHEMBL2181977


SMILES Cc1ccc(-c2nc(NC(=O)Nc3ccc(F)cc3)c3nnn(Cc4ccccc4F)c3n2)cc1
InChIKey XMKOEROSRMQYPX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 471.2

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
A3 AA3R Human Adenosine A pKi 8.22 8.22 8.22 ChEMBL
A1 AA1R Human Adenosine A pKi 6.37 6.37 6.37 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.09 5.09 5.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 6.83 6.83 6.83 ChEMBL