compound 8e [PMID: 24432909]

Ligand id: 8137

Name: compound 8e [PMID: 24432909]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 160.44
Molecular weight 470.15
XLogP 1.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-[5-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
Database Links
ChEMBL Ligand CHEMBL3128069
PubChem CID 72710568
Search Google for chemical match using the InChIKey DIXMBHMNEHPFCX-MCMMXHMISA-N
Search Google for chemicals with the same backbone DIXMBHMNEHPFCX
Search UniChem for chemical match using the InChIKey DIXMBHMNEHPFCX-MCMMXHMISA-N
Search UniChem for chemicals with the same backbone DIXMBHMNEHPFCX
Comments
Compound 8e is an aminopyridine analogue synthesised and tested in a medicinal chemistry study to identify small molecule inhibitors of mutated anaplastic lymphoma kinase (Alk) which confer crizotinib resistance [1].