CHEMBL27081


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)ON4C(=O)CCC4=O)cc3)[nH]c2n(CCC)c1=O
InChIKey NPCYZVFLXAHEOX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 483.2

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 6.9 6.9 6.9 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.82 7.64 8.05 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.01 8.01 8.01 ChEMBL
A3 AA3R Human Adenosine A pKi 6.64 6.64 6.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database