CHEMBL3317578


SMILES Nc1nc(CCCc2ccccc2O)nc2cn(-c3ccccc3)nc12
InChIKey BKWRHOCWDPOKTI-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 9.27 9.27 9.27 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.99 6.99 6.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 8.37 8.37 8.37 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.61 6.61 6.61 ChEMBL