CHEMBL4128638


SMILES COc1ccccc1CNc1nc(N)c2nc(C)sc2n1
InChIKey QFOUQHHFGBJWPI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 301.1

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
A3 AA3R Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.87 6.87 6.87 ChEMBL
A1 AA1R Human Adenosine A pKi 6.55 6.55 6.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.26 5.26 5.26 ChEMBL