CHEMBL184309


SMILES CN(CCN1CCN(c2ccc(F)cc2F)CC1)c1nc(N)n2nc(-c3ccco3)nc2n1
InChIKey DKCOTCJUXKLWCS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 455.2

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
A2A AA2AR Rat Adenosine A pKi 8.4 8.4 8.4 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.09 6.09 6.09 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.4 8.4 8.4 ChEMBL
A1 AA1R Human Adenosine A pKi 6.09 6.09 6.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database