CHEMBL278039


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O
InChIKey PSKLSICGXZNEBV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 587.1

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 6.82 6.82 6.82 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.8 7.8 7.8 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.67 8.67 8.67 ChEMBL
A3 AA3R Human Adenosine A pKi 5.9 5.9 5.9 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.23 5.27 5.29 ChEMBL
A1 AA1R Human Adenosine A pKi 6.53 6.53 6.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database