CHEMBL263643


SMILES CCSC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
InChIKey BPIKXQYCIFKGEK-LSCFUAHRSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 379.2

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
A2A AA2AR Rat Adenosine A pKi 4.72 4.72 4.72 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.89 7.2 7.35 ChEMBL
A3 AA3R Human Adenosine A pKi 7.05 7.05 7.05 ChEMBL
A1 AA1R Human Adenosine A pKi 6.76 6.76 6.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 6.9 6.9 6.9 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.68 7.68 7.68 ChEMBL