CHEMBL2181969


SMILES O=C1NCCC12O[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O
InChIKey GFHAZFGYXHKHAK-AGLNEJJOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 522.1

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 Human Adenosine A pKi 7.53 7.54 7.54 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.53 4.53 4.53 ChEMBL
A1 AA1R Human Adenosine A pKi 4.92 4.92 4.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database