CHEMBL16984


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

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 14
Molecular weight (Da) 557.2

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
A2A AA2AR Rat Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.57 7.57 7.57 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.36 7.36 7.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database