CHEMBL2113562


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(NC)nc32)[C@H](O)[C@@H]1O
InChIKey BIODKXDSJHUVJY-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 539.1

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
A3 AA3R Rat Adenosine A pKi 8.51 8.51 8.51 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.38 5.38 5.38 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.31 5.31 5.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database