Ligand id: 5686

Name: neratinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 112.4
Molecular weight 556.2
XLogP 4.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Neratinib is primarily being evaluated for clinical use in HER2-positive breast cancer, but is also being tested in combination with other cancer drugs in various types of solid tumours, including HER-2 mutant colorectal cancer and non-small cell lung cancer. Visit to view currently registered neratinib trials.

Neratinib is one of the drugs being assessed in a new type of clinical trial, called adaptive trials being performed as part of the public/private partnership I-SPY trials which aim to streamline drug testing by targeting drugs to patients by assessing their cancer-specific genetic markers, so that the most useful drugs are used in those patients most likely to respond to them. The I-SPY trials are 'adaptive' in the sense that early data from current patients is used to guide treatment regimens for the next patients entering the trial. It is hoped that this more thoughtful and flexible trial framework will expedite identification of drugs and drug combinations with the most positive outcome in those patients in most need. Positive results from an I-SPY 2 trial (Phase 2) of neratinib in HER2-positive, hormone-receptor-negative breast cancer were reported in 2016 [2]. In July 2017 the FDA granted marketing approval for neratinib's use as an extended adjuvant treatment of early-stage, HER2-positive breast cancer, in patients previously treated with drugs including trastuzumab. Neratinib therapy lowers the risk of cancer recurrence in this patient group.