CHEMBL2368369


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4OCc4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey DGZKRHKJMSCQBD-PFBLAMEFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 568.1

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 7.96 7.96 7.96 ChEMBL
A3 AA3R Human Adenosine A pKi 8.28 8.28 8.28 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.07 6.07 6.07 ChEMBL
A1 AA1R Human Adenosine A pKi 5.92 5.92 5.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database