CHEMBL602846


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCCCN)nn4)nc31)[C@H](O)[C@@H]2O
InChIKey YBWBPVDIYJGYAO-IDFWRWHYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 13
Molecular weight (Da) 646.3

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 Human Adenosine A pKi 7.33 7.33 7.33 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.79 5.79 5.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database