CHMFL-KIT-64

Ligand id: 10420

Name: CHMFL-KIT-64

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 69.68
Molecular weight 516.11
XLogP 5.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide
Synonyms
compound 18 [PMID: 31250638]
Comments
CHMFL-KIT-64 is a potent and orally available inhibitor of wild-type c-KIT and a range of known c-KIT resistance mutants [1]. It has demonstrated anti-tumour efficacy in vitro, in mouse xenograft models, and against imatinib-resistant patient tumour cells expressing wild-type c-KIT. It has been proposed as a potential clinical lead for gastrointestinal stromal tumour (GIST) therapy as the majority (80-85%) of GISTs harbour c-KIT activation mutations. Other c-KIT mutations confer primary or secondary (acquired) resistance to imatinib which is the first line drug used to combat GISTs. CHMFL-KIT-64 was designed to target mutations that are refractory to currently approved therapeutics including imatinib, sunitinib and regorafenib. It can potently inhibit the T670I ATP binding pocket (gatekeeper) mutant that is resistant to many other c-KIT inhibitors.
Database Links
GtoPdb PubChem SID 385612180
Search Google for chemical match using the InChIKey YOHLRCOPRAVUCJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YOHLRCOPRAVUCJ
Search UniChem for chemical match using the InChIKey YOHLRCOPRAVUCJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YOHLRCOPRAVUCJ