CHEMBL4289660


SMILES CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCN(CC)CC)cc2)n(CCC)c1=O
InChIKey KKQKKOUJIBBKAN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 16
Molecular weight (Da) 581.4

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 6.52 6.52 6.52 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.47 6.47 6.47 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.87 6.87 6.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database