CHEMBL8495


SMILES CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)nc2c1=O
InChIKey ZLQYROHKEPJEIK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 471.1

Drug properties

Molecular type Small molecule
Endogenous/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 7.27 7.27 7.27 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.19 8.19 8.19 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.89 7.89 7.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database