compound 19a [PMID: 26506089]

Ligand id: 9842

Name: compound 19a [PMID: 26506089]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 146.29
Molecular weight 745.14
XLogP 6.83
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[4-[(E)-4-[[(2S)-1-[(2S)-2-[(4-iodophenyl)-phenylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobut-2-en-2-yl]phenyl] dihydrogen phosphate
Comments
Compound 19a is the most potent of a series of STAT6 inhibitors reported by Mandal et al. (2015) [1]. STAT6 inhibitors are being developed for their potential to inhibit the expression of genes contributing to asthma. Compound 19a is a phosphopeptide mimic that blocks interaction of the IL-4 and IL-13 receptors with the SH2 domain of STAT6, thereby preventing the downstream transcriptional sequelae of STAT6 activation. The structure is claimed in patent WO2014182928 [2].
Database Links
ChEMBL Ligand CHEMBL3741938
GtoPdb PubChem SID 363894136
PubChem CID 86292328
Search Google for chemical match using the InChIKey CGLGRSOJPUXNFA-YVXBOAIISA-N
Search Google for chemicals with the same backbone CGLGRSOJPUXNFA
Search UniChem for chemical match using the InChIKey CGLGRSOJPUXNFA-YVXBOAIISA-N
Search UniChem for chemicals with the same backbone CGLGRSOJPUXNFA