CHEMBL3679385


SMILES OC[C@H]1O[C@@H](n2cnc3c(NC4CCC[C@H]4OCc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey PRXZAKNIYXOOMQ-HFALVTKESA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 459.2

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 5.39 5.39 5.39 ChEMBL
A1 AA1R Rabbit Adenosine A pKi 8.45 8.45 8.45 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.59 5.59 5.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database