CHEMBL2112156


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(Cl)ccc4Cl)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey SNYXHGWNZCJNLG-WRQNOASSSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 496.1

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 Human Adenosine A pKi 9.25 9.25 9.25 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
A1 AA1R Human Adenosine A pKi 6.27 6.27 6.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database