CHEMBL2113425


SMILES CC(C)SC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
InChIKey SZBYGIUFYSGXQI-SCFUHWHPSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 393.2

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 4.99 4.99 4.99 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.39 7.39 7.39 ChEMBL
A3 AA3R Human Adenosine A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database