CHEMBL4129419


SMILES COc1ccc(CCNc2nc(N)c3nc(-c4ccccc4)sc3n2)cc1
InChIKey GLLKLVCCVKWHCU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 377.1

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 5.45 5.45 5.45 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.39 6.39 6.39 ChEMBL
A1 AA1R Human Adenosine A pKi 6.31 6.31 6.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database