CHEMBL3317575


SMILES COc1ccccc1CCCc1nc(N)c2nn(-c3ccccc3)cc2n1
InChIKey PPZARYOCIWUJNS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 359.2

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
A1 AA1R Human Adenosine A pKi 8.88 8.88 8.88 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.82 6.82 6.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 7.92 7.92 7.92 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.41 6.41 6.41 ChEMBL