CHEMBL429428


SMILES Cc1cc(C)n(-c2cc(NC(=O)CN3CCC[C@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1
InChIKey KRQSPIGYXUHKMU-LJQANCHMSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 451.3

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
A2A AA2AR Rat Adenosine A pKi 7.06 7.06 7.06 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.0 8.0 8.0 ChEMBL
A1 AA1R Human Adenosine A pKi 6.05 6.05 6.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database