CHEMBL5173159


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 367.2

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 6.22 6.22 6.22 ChEMBL
A3 AA3R Human Adenosine A pKd 6.45 6.45 6.45 ChEMBL
A1 AA1R Human Adenosine A pKi 7.91 7.91 7.91 ChEMBL
A1 AA1R Human Adenosine A pKd 7.86 7.86 7.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.42 8.42 8.42 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.49 8.49 8.49 ChEMBL