CHEMBL3679384


SMILES OC[C@H]1O[C@@H](n2cnc3c(NC4CCC[C@H]4OCc4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey CYHRDMKKFSGMNK-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
Endogenous/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 5.29 5.29 5.29 ChEMBL
A1 AA1R Rabbit Adenosine A pKi 8.64 8.64 8.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.38 6.38 6.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database