CHEMBL2113395


SMILES CNC(=O)[C@@]1(C)O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey YBSOJQBZMFKGQX-AHMDFLBRSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 398.2

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
A3 AA3R Rat Adenosine A pKi 6.22 6.22 6.22 ChEMBL
A2A AA2AR Rat Adenosine A pKi 4.27 4.27 4.27 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.21 4.21 4.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database