CHEMBL16677


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4)cc3)[nH]c2n(CCC)c1=O
InChIKey PMGIEKWQRPFFJL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 461.2

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
A1 AA1R Rat Adenosine A pKi 8.38 8.38 8.38 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.82 8.82 8.83 ChEMBL
A3 AA3R Human Adenosine A pKi 6.86 6.86 6.86 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.59 8.12 8.65 ChEMBL
A1 AA1R Human Adenosine A pKi 7.39 7.39 7.4 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.34 7.34 7.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database