CHEMBL348925


SMILES Cn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey ICVHZJCIDVQQJU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 452.0

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
A2B AA2BR Human Adenosine A pKi 6.74 6.74 6.74 ChEMBL
A3 AA3R Human Adenosine A pKi 6.34 8.91 9.34 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.0 7.0 7.0 ChEMBL
A1 AA1R Human Adenosine A pKi 6.22 6.22 6.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.38 8.38 8.38 ChEMBL