CHEMBL341777


SMILES O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12
InChIKey PXLNNXUUFHRPRE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 479.2

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
A2B AA2BR Human Adenosine A pKi 7.66 7.66 7.66 ChEMBL
A3 AA3R Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.4 7.4 7.4 ChEMBL
A1 AA1R Human Adenosine A pKi 7.7 7.7 7.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.89 6.89 6.89 ChEMBL