CHEMBL5204517


SMILES Nc1nc(NCCc2ccc(O)cc2)nc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)n1
InChIKey ZHVULIIPYBZWKD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 451.1

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
A2A AA2AR Human Adenosine A pKi 7.49 7.49 7.49 ChEMBL
A1 AA1R Human Adenosine A pKi 6.49 6.49 6.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database