CHEMBL349019


SMILES Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1
InChIKey WRFYJOIKSSTMGJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 442.0

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 6.94 6.94 6.94 ChEMBL
A3 AA3R Human Adenosine A pKi 5.47 7.97 8.47 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.84 6.84 6.84 ChEMBL
A1 AA1R Human Adenosine A pKi 6.41 6.41 6.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.58 7.58 7.58 ChEMBL