CHEMBL429575


SMILES CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1
InChIKey RZWNFRXLFHITKC-IBGZPJMESA-N

Chemical properties

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

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 5.58 5.58 5.58 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.36 8.36 8.36 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.81 6.81 6.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database