CHEMBL1093313


SMILES Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12
InChIKey ZQSNZROOZBSWNB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 294.1

Drug properties

Molecular type Small molecule
Endogenous/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 7.74 7.74 7.74 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.57 5.57 5.57 ChEMBL
A3 AA3R Human Adenosine A pKi 6.31 6.31 6.31 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.47 5.47 5.47 ChEMBL