CHEMBL2113539


SMILES O[C@@H]1[C@@H](COC2CC2)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O
InChIKey NQCCKNIJFSBSIE-SCFUHWHPSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 375.2

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
A1 AA1R Rat Adenosine A pKi 7.39 7.39 7.39 ChEMBL
A3 AA3R Human Adenosine A pKi 6.98 6.98 6.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database