compound 26 [PMID: 21733693]

Ligand id: 8783

Name: compound 26 [PMID: 21733693]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 158.85
Molecular weight 667.16
XLogP 5.42
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,6-difluoro-N-[2-fluoro-5-[5-[2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
Synonyms
Example 23 [WO2010104899A1]
Database Links
ChEMBL Ligand CHEMBL1808264
GtoPdb PubChem SID 252827441
PubChem CID 46927672
Search Google for chemical match using the InChIKey KJUCPVIVNLPLEE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KJUCPVIVNLPLEE
Search UniChem for chemical match using the InChIKey KJUCPVIVNLPLEE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KJUCPVIVNLPLEE
Comments
Compound 26 was developed in a study to discover novel inhibitors of the constitutively active V600E mutant BRAF kinase [1].