CHEMBL4290710


SMILES CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN3CCCC3)cc2)n(CCC)c1=O
InChIKey DFTHQFPSAUNLIN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 13
Molecular weight (Da) 565.3

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
A3 AA3R Human Adenosine A pKi 6.29 6.29 6.29 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.71 6.71 6.71 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.95 6.95 6.95 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database