CHEMBL4286941


SMILES COc1ccc(-n2c(C(=O)c3sc(Nc4ccccc4)nc3-c3ccccc3)cnc2N)cc1
InChIKey AYYNVPQMGBMBJL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 467.1

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
A1 AA1R Human Adenosine A pKi 5.43 5.43 5.43 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.05 5.05 5.05 ChEMBL
A3 AA3R Human Adenosine A pKi 6.49 6.49 6.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database