CHEMBL518972


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 522.2

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 5.76 5.76 5.76 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.33 7.33 7.33 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.07 9.07 9.07 ChEMBL
A3 AA3R Human Adenosine A pKi 6.81 6.81 6.81 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.07 9.07 9.07 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.81 6.81 6.81 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database