CHEMBL491416


SMILES CONC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIKey XBEYTDKCEMOOOY-PFHKOEEOSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 560.0

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 Human Adenosine A pKi 7.06 7.06 7.06 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.78 5.78 5.78 ChEMBL
A1 AA1R Human Adenosine A pKi 6.06 6.06 6.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database