CHEMBL5189470


SMILES COc1cc(Nc2nc(CNCc3cccnc3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIKey KETNTKCUALKWED-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 496.2

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 pKd 6.89 6.95 7.0 ChEMBL
A3 AA3R Human Adenosine A pKi 6.33 6.33 6.33 ChEMBL
A1 AA1R Human Adenosine A pKd 7.54 7.54 7.54 ChEMBL
A1 AA1R Human Adenosine A pKi 7.23 7.23 7.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.05 8.05 8.05 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.92 7.92 7.92 ChEMBL