CHEMBL4218460


SMILES CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCCc4ccccc4)cc3)[nH]c2c1=O
InChIKey QDTWVGMVXSUFAG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 475.2

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 6.3 6.3 6.3 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.53 7.53 7.53 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.48 8.48 8.48 ChEMBL
A3 AA3R Human Adenosine A pKi 5.85 5.85 5.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database