CHEMBL488542


SMILES CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O
InChIKey JKBIJOCWXVYBKY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 403.1

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 7.11 7.11 7.11 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.27 8.27 8.27 ChEMBL
A3 AA3R Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.27 8.27 8.27 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.68 6.68 6.68 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database