CHEMBL49843


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 384.2

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
A3 AA3R Rat Adenosine A pKi 7.8 7.8 7.8 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.68 5.95 6.22 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.62 5.91 6.05 ChEMBL
A3 AA3R Human Adenosine A pKi 7.39 7.39 7.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database