CHEMBL5187501


SMILES COc1cc(Nc2nc(C#N)cc3cn[nH]c23)cc(OC)c1OC
InChIKey BKEVNHGVRXQWRJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 325.1

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 5.49 5.49 5.49 ChEMBL
A3 AA3R Human Adenosine A pKd 5.91 5.91 5.91 ChEMBL
A1 AA1R Human Adenosine A pKd 6.99 6.99 6.99 ChEMBL
A1 AA1R Human Adenosine A pKi 6.64 6.64 6.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.71 8.71 8.71 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.99 7.99 7.99 ChEMBL