CHEMBL335950


SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12
InChIKey OOTVLKSCGYKBDY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 527.2

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 Bovine Adenosine A pKi 6.52 6.52 6.52 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.7 7.7 7.7 ChEMBL
A3 AA3R Human Adenosine A pKi 6.46 6.49 6.52 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.1 6.38 6.52 ChEMBL
A1 AA1R Human Adenosine A pKi 5.96 6.02 6.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.96 6.96 6.96 ChEMBL