CHEMBL3828555


SMILES CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(CCCC)c1=O
InChIKey CDLMXVINGGJMMH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 0
Rotatable bonds 13
Molecular weight (Da) 552.3

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 5.86 5.86 5.86 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.76 6.76 6.76 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.47 6.47 6.47 ChEMBL
A3 AA3R Human Adenosine A pKi 6.05 6.05 6.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database