CHEMBL5185003


SMILES COc1cc(Nc2nc(CNCc3ccccc3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIKey JKSSZSSHEYBEPE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 495.2

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 6.73 6.77 6.8 ChEMBL
A3 AA3R Human Adenosine A pKi 7.07 7.07 7.07 ChEMBL
A1 AA1R Human Adenosine A pKd 6.37 6.37 6.37 ChEMBL
A1 AA1R Human Adenosine A pKi 6.69 6.69 6.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.14 8.14 8.14 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.41 8.41 8.41 ChEMBL