CHEMBL2113617


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey XNFVSECWXBIIOU-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 418.1

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 7.66 7.66 7.66 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database