CHEMBL5196781


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 405.2

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 6.59 6.59 6.59 ChEMBL
A3 AA3R Human Adenosine A pKi 6.88 6.88 6.88 ChEMBL
A1 AA1R Human Adenosine A pKd 7.39 7.39 7.39 ChEMBL
A1 AA1R Human Adenosine A pKi 7.64 7.64 7.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.31 8.31 8.31 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.64 7.64 7.64 ChEMBL