CHEMBL3927012


SMILES COc1cc(Nc2nc(Cl)cc3c(C(C)C)n[nH]c23)cc(OC)c1OC
InChIKey FUEDGAAZRJTKOK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 376.1

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 6.2 6.2 6.2 ChEMBL
A3 AA3R Human Adenosine A pKd 6.26 6.26 6.26 ChEMBL
A1 AA1R Human Adenosine A pKd 6.55 6.55 6.55 ChEMBL
A1 AA1R Human Adenosine A pKi 6.54 6.54 6.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.55 8.55 8.55 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.3 8.3 8.3 ChEMBL