CHEMBL3752421


SMILES O=C(Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12)c1ccccc1
InChIKey TVJWAQDNHMFKFF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 403.2

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
A3 AA3R Human Adenosine A pKi 5.07 5.07 5.07 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.99 5.99 5.99 ChEMBL
A1 AA1R Human Adenosine A pKi 5.12 5.12 5.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database