CHEMBL5174600


SMILES Cn1nc(NC(=O)Nc2ccccc2)c2ccnc(NC3CCCCC3)c21
InChIKey XXOSYNDAOHAYJW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 364.2

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
A3 AA3R Human Adenosine A pKd 6.52 6.52 6.52 ChEMBL
A3 AA3R Human Adenosine A pKi 7.19 7.19 7.19 ChEMBL
A1 AA1R Human Adenosine A pKi 6.0 6.0 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.37 8.37 8.37 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.85 8.85 8.85 ChEMBL