CHEMBL3314871


SMILES CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12
InChIKey VZKOSFXYYAOWFE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 423.2

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 4.88 4.88 4.88 ChEMBL
A3 AA3R Human Adenosine A pKi 7.41 7.41 7.41 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.94 6.94 6.94 ChEMBL
A1 AA1R Human Adenosine A pKi 6.5 6.5 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database