CHEMBL573780


SMILES O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1
InChIKey LWYRFEDQIGXNNB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 539.2

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 8.19 8.19 8.19 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.27 7.28 7.28 ChEMBL
A1 AA1R Human Adenosine A pKi 6.94 6.94 6.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.23 5.23 5.23 ChEMBL