CHEMBL3679380


SMILES OC[C@H]1OC(n2cnc3c(NC4CCC[C@@H]4OCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey HZBFCOYWEGAJGZ-XCUHZOMWSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 567.1

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 Rabbit Adenosine A pKi 5.89 5.89 5.89 ChEMBL
A1 AA1R Rabbit Adenosine A pKi 7.54 7.54 7.54 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.17 5.17 5.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database