CHEMBL605034


SMILES CNC(=O)[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@](C)(O)[C@@H]1O
InChIKey MLUKUGWIZSNCTC-LAQKVYDXSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 524.1

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 6.5 6.5 6.5 ChEMBL
A1 AA1R Bovine Adenosine A pKi 6.59 6.59 6.59 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.81 5.81 5.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database