compound 11j [PMID: 23021994]

Ligand id: 8827

Name: compound 11j [PMID: 23021994]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 137.59
Molecular weight 565.17
XLogP 4.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-[4-[2-[4-chloro-3-(diethylsulfamoyl)anilino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methylurea
Comments
Compound 11j is reported as one of the lead compounds in the search for selective inhibitors of human SMG1 kinase (SMG1 phosphatidylinositol 3-kinase-related kinase) [1].
Database Links
ChEMBL Ligand CHEMBL2158866
GtoPdb PubChem SID 252827484
PubChem CID 71458575
Search Google for chemical match using the InChIKey RZFJBSIAXYEPBX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RZFJBSIAXYEPBX
Search UniChem for chemical match using the InChIKey RZFJBSIAXYEPBX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RZFJBSIAXYEPBX