CHEMBL5176737


SMILES Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12
InChIKey QHIATACMHNLOEM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 318.1

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
A2B AA2BR Human Adenosine A pKi 7.01 7.2 7.39 ChEMBL
A3 AA3R Human Adenosine A pKi 5.51 5.71 5.9 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.52 9.8 10.09 ChEMBL
A1 AA1R Human Adenosine A pKi 7.77 7.95 8.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 6.93 7.83 8.74 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.16 7.57 7.98 ChEMBL