EAI045

Ligand id: 9222

Name: EAI045

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 110.77
Molecular weight 383.07
XLogP 3.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
Database Links
GtoPdb PubChem SID 315661298
PubChem CID 121231412
Search Google for chemical match using the InChIKey YTUFHOKUFOQRDF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YTUFHOKUFOQRDF
Search UniChem for chemical match using the InChIKey YTUFHOKUFOQRDF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YTUFHOKUFOQRDF
Comments
EAI045 is an allosteric inhibitor of mutant forms of the EGFR found in lung cancers whilst sparing the wild-type receptor [1]. Allosteric inhibitors are being developed to overcome acquired resistance to current EGFR tyrosine kinase inhibitors which bind to the ATP pocket of the enzyme, which is the location of the many identified resistance mutations.