CHEMBL138332


SMILES CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1
InChIKey NFDDKDIFVJEASK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 436.1

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
A1 AA1R Rat Adenosine A pKi 5.8 5.8 5.8 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.24 7.24 7.24 ChEMBL
A3 AA3R Human Adenosine A pKi 5.8 8.71 9.31 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.91 5.91 5.91 ChEMBL
A1 AA1R Human Adenosine A pKi 7.52 7.52 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.26 8.27 8.28 ChEMBL