CHEMBL1090123


SMILES CSc1nc(N)n2nc(-c3ccco3)nc2n1
InChIKey APSHQFCMMKRIFB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 248.0

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
A2A AA2AR Rat Adenosine A pKi 7.01 7.01 7.01 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.76 5.76 5.76 ChEMBL
A3 AA3R Human Adenosine A pKi 5.59 5.59 5.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.83 4.83 4.83 ChEMBL