CHEMBL16867


SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12
InChIKey PUYNLRZJFOQWRV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 345.1

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
A2A AA2AR Rat Adenosine A pKi 8.85 8.95 9.15 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.33 8.44 8.67 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.29 8.29 8.3 ChEMBL
A3 AA3R Human Adenosine A pKi 5.55 6.44 8.69 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.47 9.49 9.51 ChEMBL
A1 AA1R Human Adenosine A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database