CHEMBL275605


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)[nH]c2n(CCC)c1=O
InChIKey BZAIRJUILWPFJR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 475.2

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
A2A AA2AR Rat Adenosine A pKi 7.59 7.59 7.59 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.3 8.3 8.3 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.5 8.59 8.69 ChEMBL
A3 AA3R Human Adenosine A pKi 6.85 6.97 7.1 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.62 7.66 7.7 ChEMBL
A1 AA1R Human Adenosine A pKi 7.2 7.23 7.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database