CHEMBL165600


SMILES CCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey GQNTYJRUQFVQDY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 466.1

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 6.53 6.53 6.53 ChEMBL
A3 AA3R Human Adenosine A pKi 6.43 9.0 9.43 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.4 7.4 7.4 ChEMBL
A1 AA1R Human Adenosine A pKi 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database