CHEMBL3314913


SMILES CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12
InChIKey ZZXIVHBZTITUIW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 329.1

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 Human Adenosine A pKi 7.34 7.34 7.34 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.35 7.35 7.35 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.15 5.15 5.15 ChEMBL
A3 AA3R Human Adenosine A pKi 7.61 7.61 7.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database