CHEMBL3828002


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 439.3

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 6.29 6.29 6.29 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.74 6.74 6.74 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.88 6.88 6.88 ChEMBL
A3 AA3R Human Adenosine A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database