CHEMBL3799351


SMILES COc1ccccc1Cn1cc2nc(-c3ccc(C)o3)nc(N)c2n1
InChIKey ISSQUAKPAHUUNQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 335.1

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 pKi 7.09 7.09 7.09 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.44 8.44 8.44 ChEMBL
A1 AA1R Human Adenosine A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 8.36 8.36 8.36 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.68 7.68 7.68 ChEMBL