allitinib

Ligand id: 9912

Name: allitinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 76.14
Molecular weight 448.11
XLogP 5.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]quinazolin-6-yl]prop-2-enamide
Synonyms
ALL-3 | AST-1306 | AST1306
Comments
Allitinib (AST-1306) is an irreversible inhibitor of the wild-type epidermal growth factor receptor (EGFR) and ErbB2 (HER2) [1]. It also inhibits the mutant EGFRT790M/L858R. Allitinib was designed by Allist Pharmaceuticals to overcome acquired resistance to EGFR inhibitor therapy. It is active in vitro and in vivo.
Allitinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification.
Database Links
ChEMBL Ligand CHEMBL1947204
GtoPdb PubChem SID 363894206
PubChem CID 24739943
Search Google for chemical match using the InChIKey MVZGYPSXNDCANY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MVZGYPSXNDCANY
Search UniChem for chemical match using the InChIKey MVZGYPSXNDCANY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MVZGYPSXNDCANY