CHEMBL2113422


SMILES O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O
InChIKey CVYRHWBUIPPTER-LSCFUAHRSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 501.0

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
A2A AA2AR Rat Adenosine A pKi 6.34 6.34 6.34 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.57 6.57 6.57 ChEMBL
A3 AA3R Human Adenosine A pKi 6.73 6.73 6.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database