CHEMBL2113530


SMILES CCOC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIKey IJKYHPSTWVHGBB-SCFUHWHPSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 545.0

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 6.07 6.07 6.07 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.59 6.59 6.59 ChEMBL
A3 AA3R Human Adenosine A pKi 8.13 8.13 8.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database