CHEMBL520617


SMILES CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O
InChIKey BGRKVIAGBNUFJB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 508.2

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 6.47 6.47 6.47 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.41 7.41 7.41 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.8 8.8 8.8 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.8 8.8 8.8 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database