CHEMBL414023


SMILES Oc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIKey XEVZWKHGVYHGAM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 286.0

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 5.36 5.36 5.36 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.4 5.4 5.4 ChEMBL
A3 AA3R Human Adenosine A pKi 6.58 6.58 6.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 5.0 5.0 5.0 ChEMBL