CHEMBL3753012


SMILES O=C(Nc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12
InChIKey PBXFOUQUQNIFAX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 418.2

Drug properties

Molecular type Small molecule
Endogenous/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 6.46 6.46 6.46 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.1 8.1 8.1 ChEMBL
A1 AA1R Human Adenosine A pKi 6.02 6.02 6.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database