CHEMBL483487


SMILES CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O
InChIKey DLYJSXYMPVWHJA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 514.1

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
A2A AA2AR Rat Adenosine A pKi 6.92 6.92 6.92 ChEMBL
A3 AA3R Human Adenosine A pKi 6.36 6.36 6.36 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.32 7.32 7.32 ChEMBL
A1 AA1R Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 7.32 7.32 7.32 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.39 9.39 9.39 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.36 6.36 6.36 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.39 9.39 9.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database