CHEMBL391717


SMILES CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)c(OC)c2)n(CCC)c1=O
InChIKey XNZMSMFNSWONLB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 455.3

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 5.88 5.88 5.88 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.09 6.09 6.09 ChEMBL
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database