MDL-800

Ligand id: 10123

Name: MDL-800

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 135.4
Molecular weight 623.9
XLogP 5.77
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-(3,5-dichlorobenzenesulfonamido)benzoate
Comments
MDL-800 is an allosteric activator of SIRT6 that is active in vitro and in physiological experiments (e.g. tumour xenograft models) [1]. It increases the deacetylase activity of SIRT6 which leads to decreased H3K9 and H3K56 acetyl-lysine marks in cancer cells in vitro and an anti-tumour effect.
Database Links
GtoPdb PubChem SID 381118833
Search Google for chemical match using the InChIKey FKFQBYBODAKGOA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FKFQBYBODAKGOA
Search UniChem for chemical match using the InChIKey FKFQBYBODAKGOA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FKFQBYBODAKGOA