CHEMBL212625


SMILES CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O
InChIKey HHNGYTVWOXXKET-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 508.2

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 7.03 7.03 7.03 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.58 6.58 6.58 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.44 8.55 8.88 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.32 6.32 6.32 ChEMBL
A1 AA1R Human Adenosine A pKi 5.68 5.68 5.68 ChEMBL
A1 AA1R Human Adenosine A pKi 5.68 5.68 5.68 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.32 6.32 6.32 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 8.44 8.66 8.88 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 8.0 8.0 8.0 ChEMBL