CHEMBL400620


SMILES CCCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(Cl)c2)n(CCC)c1=O
InChIKey MNOOMMKUCVOVCR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 415.2

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 6.32 6.32 6.32 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.05 7.05 7.05 ChEMBL
A3 AA3R Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
A3 AA3R Human Adenosine A pKi 5.89 5.89 5.89 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database