CHEMBL3929143


SMILES COc1cc(Nc2nccc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIKey PDMOOGGSAAZHAT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 376.2

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 6.6 6.87 7.13 ChEMBL
A3 AA3R Human Adenosine A pKi 7.0 7.0 7.0 ChEMBL
A1 AA1R Human Adenosine A pKd 6.88 6.88 6.88 ChEMBL
A1 AA1R Human Adenosine A pKi 6.78 6.78 6.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.29 8.29 8.29 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.72 8.72 8.72 ChEMBL