CHEMBL5181728


SMILES COc1cc(Nc2nc(C#N)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIKey QGDXZJBGCQOZLE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 401.1

Drug properties

Molecular type Small molecule
Endogenous/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 7.87 7.94 8.0 ChEMBL
A3 AA3R Human Adenosine A pKi 8.01 8.01 8.01 ChEMBL
A1 AA1R Human Adenosine A pKi 8.36 8.36 8.36 ChEMBL
A1 AA1R Human Adenosine A pKd 7.63 8.14 8.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.12 7.12 7.12 ChEMBL
A1 AA1R Human Adenosine A pIC50 6.7 6.7 6.7 ChEMBL