XAP044

Ligand id: 8545

Name: XAP044

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 55.76
Molecular weight 379.95
XLogP 3.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-hydroxy-3-(4-iodophenoxy)chromen-4-one
Synonyms
7-hydroxy-3-(4-iodophenoxy)-4H-chromen-4-one
Database Links
PubChem CID 5428913
Search Google for chemical match using the InChIKey XXZKJJYWINSUMJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XXZKJJYWINSUMJ
Search UniChem for chemical match using the InChIKey XXZKJJYWINSUMJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XXZKJJYWINSUMJ
Comments
XAP044 exerts antagonist-like activity at the mGlu5 receptor, binding to a novel site within the extracellular Venus flytrap domain compared with known selective ligands [1], making this compound a negative allosteric modulator (NAM).