MT47-100

Ligand id: 8821

Name: MT47-100

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 93.81
Molecular weight 345.1
XLogP 5.73
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[4-(2-hydroxyphenyl)phenyl]quinoline-2,3,4-triol
Database Links
PubChem CID 91938093
Search Google for chemical match using the InChIKey DMDAXRKDNRQTIF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DMDAXRKDNRQTIF
Search UniChem for chemical match using the InChIKey DMDAXRKDNRQTIF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DMDAXRKDNRQTIF
Comments
MT47-100 modulates activity of the AMP-activated protein kinase (AMPK). The direction of modulation depends on the subunit composition of the enzyme. MT47-100 acts as a direct activator of β1 subunit-containing AMPK, and as an allosteric inhibitor of β2 subunit-containing AMPK [1].