CHEMBL602847


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

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 14
Molecular weight (Da) 688.3

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 7.05 7.05 7.05 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.14 5.14 5.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database