CHEMBL3929812


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

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 410.1

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 pKd 7.05 7.06 7.07 ChEMBL
A3 AA3R Human Adenosine A pKi 7.26 7.26 7.26 ChEMBL
A1 AA1R Human Adenosine A pKd 6.7 6.7 6.7 ChEMBL
A1 AA1R Human Adenosine A pKi 6.66 6.66 6.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.91 7.91 7.91 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.54 8.54 8.54 ChEMBL