CHEMBL95811


SMILES NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIKey DUHSDOJNFHLISS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 370.1

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
A2A AA2AR Rat Adenosine A pKi 7.84 8.35 8.86 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.95 8.01 8.06 ChEMBL
A2B AA2BR Human Adenosine A pKd 8.0 8.0 8.0 ChEMBL
A3 AA3R Human Adenosine A pKi 7.09 7.09 7.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.57 6.57 6.57 ChEMBL