N6-BENZYLADENOSINE


SMILES OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey MRPKNNSABYPGBF-LSCFUAHRSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 357.1

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 Rat Adenosine A pKi 6.92 6.92 6.92 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.13 6.33 6.54 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.35 6.66 6.92 ChEMBL
A3 AA3R Human Adenosine A pKi 6.26 6.82 7.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 6.9 6.9 6.9 ChEMBL
A3 AA3R Human Adenosine A pEC50 6.42 6.42 6.42 ChEMBL