CHEMBL3311282


SMILES OC[C@H]1O[C@@H](n2cnc3c(NC4CC4c4ccccc4)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIKey ZUZUSCXGJHXEMB-WXAVEZDYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 483.2

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 9.07 9.07 9.07 ChEMBL
A1 AA1R Human Adenosine A pKi 6.91 6.91 6.91 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.6 5.6 5.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database