CHEMBL3317579


SMILES Nc1nc(CCCc2cccc(O)c2)nc2cn(-c3ccccc3)nc12
InChIKey SHQKGVUFKLDRQI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 345.2

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 9.66 9.66 9.66 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.84 6.84 6.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 8.54 8.54 8.54 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.5 6.5 6.5 ChEMBL