CHEMBL520830


SMILES CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O
InChIKey XTTKWTJWEDQVCT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 526.2

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 6.71 6.71 6.71 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.22 9.22 9.22 ChEMBL
A3 AA3R Human Adenosine A pKi 6.12 6.12 6.12 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.23 9.23 9.23 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.12 6.12 6.12 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 7.47 7.47 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database