CHEMBL522152


SMILES CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey GWXXZRJKZRKCOK-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 526.0

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
A3 AA3R Rat Adenosine A pKi 8.73 8.73 8.73 ChEMBL
A3 AA3R Human Adenosine A pKi 9.52 9.58 9.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.32 6.32 6.32 ChEMBL
A1 AA1R Human Adenosine A pKi 7.7 7.71 7.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database