CHEMBL482638


SMILES CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O
InChIKey DRQZZNDGMBNKEV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 528.1

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 7.01 7.01 7.01 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.21 9.21 9.21 ChEMBL
A3 AA3R Human Adenosine A pKi 6.25 6.25 6.25 ChEMBL
A3 AA3R Human Adenosine A pKi 6.25 6.25 6.25 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.21 9.21 9.21 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 6.58 6.58 6.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database