GSK484

Ligand id: 8577

Name: GSK484

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 98.54
Molecular weight 473.24
XLogP 3.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
Synonyms
GSK 484 | GSK-484
Database Links
PubChem CID 86340175
Search Google for chemical match using the InChIKey BDYDINKSILYBOL-WMZHIEFXSA-N
Search Google for chemicals with the same backbone BDYDINKSILYBOL
Search UniChem for chemical match using the InChIKey BDYDINKSILYBOL-WMZHIEFXSA-N
Search UniChem for chemicals with the same backbone BDYDINKSILYBOL
Comments
GSK484 binds to peptidyl arginine deiminase, type IV (PADI4; Q9UM07) and inhibits its activity [1]. PADI4 contributes to regulating the histone code by effecting the citrullination/deimination of histones. PADI4 has strong associations with cancer and immune and inflammatory processes. GSK484 will be a useful tool to enhance understanding of the normal and pathological functions of PADI4.
This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection, developed in collaboration with GlaxoSmithKline (GSK).