CHEMBL3314873


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 408.2

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
A1 AA1R Human Adenosine A pKi 6.37 6.37 6.37 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.59 7.59 7.59 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.6 5.6 5.6 ChEMBL
A3 AA3R Human Adenosine A pKi 6.55 6.55 6.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database