CHEMBL20888


SMILES CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C
InChIKey RUQBAFIWHCWACH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 298.1

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 7.09 7.27 7.44 ChEMBL
A3 AA3R Human Adenosine A pKi 6.65 7.12 7.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.0 8.0 8.0 ChEMBL
A1 AA1R Human Adenosine A pKi 7.3 7.34 7.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 6.99 6.99 6.99 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.32 7.32 7.32 ChEMBL