CHEMBL477666


SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O
InChIKey SKEFGDREBIAUKI-HAXDFEGKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 445.2

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 Human Adenosine A pKi 6.53 6.53 6.53 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.29 5.29 5.29 ChEMBL
A1 AA1R Human Adenosine A pKi 7.19 7.19 7.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database