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
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
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].