CHEMBL221573


SMILES Nc1nc(N2CCN3C[C@@H](CN(Cc4ccncc4)Cc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12
InChIKey JADPCYBCKXAUQF-RPWUZVMVSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 551.3

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
A2A AA2AR Rat Adenosine A pKi 8.52 8.52 8.52 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.22 5.22 5.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database