CHEMBL361826


SMILES CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccccc5OC)n4)cc3)[nH]c2n(CCC)c1=O
InChIKey JNJWKLSCJORTLT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 516.2

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 6.9 6.9 6.9 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.53 6.58 7.64 ChEMBL
A1 AA1R Human Adenosine A pKi 5.94 7.0 8.05 ChEMBL
A3 AA3R Human Adenosine A pKi 8.3 8.3 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database