Ligand id: 7640

Name: simotinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 77.97
Molecular weight 500.16
XLogP 3.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Simotinib is approved in China where it is used to treat various solid tumours in patients with a range of comorbidities. The drug is administered as the hydrochloride salt. lists two registered trials (click here to view).
Mechanism Of Action and Pharmacodynamic Effects
Patients carrying activating mutations of EGFR significantly benefit from treatment with EGFR tyrosine kinase inhibitors. The drug inhibits EGFR-driven pathways involved in cell differentiation, proliferation, angiogenesis, and apoptosis.