CHEMBL158507


SMILES CCCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CCC)c1=O
InChIKey CLIGSMOZKDCDRZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 312.2

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 Guinea pig Adenosine A pKi 6.52 6.52 6.52 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.72 6.79 6.85 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.89 8.08 8.56 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.72 7.72 7.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.68 5.68 5.68 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.99 7.99 7.99 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Bovine Adenosine A pIC50 9.15 9.15 9.15 ChEMBL