GtoPdb Ligand ID: 8959

Synonyms: Example 18 [WO2012048259] [1] | X-396
Compound class: Synthetic organic
Comment: X-396 is an orally available, investigational inhibitor of anaplastic lymphoma receptor tyrosine kinase (ALK). Lovly et al. (2011) report preclinical proof-of-concept findings for the utility of X-396 in ALK-driven cancers [2]
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 113.68
Molecular weight 546.13
XLogP 3.66
No. Lipinski's rules broken 0
Canonical SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1nnc(c(c1)OC(c1c(Cl)ccc(c1Cl)F)C)N
Isomeric SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1nnc(c(c1)O[C@@H](c1c(Cl)ccc(c1Cl)F)C)N
InChI InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1
No information available.
Summary of Clinical Use
There are a number of ongoing clinical trials that are evaluating X-396 (ensartinib) in a variety of solid tumour types. The most advanced is a Phase 3 trial that is comparing ensartinib to crizotinib in ALK-rearranged NSCLC (NCT02767804). A Phase 2 study is underway to determine the efficacy of genetic screening as a route to personalising treatment for childhood non-Hodgkin lymphoma, in which ensartinib is one of the drugs available to test. Click here to link to ClinicalTrials.gov's full list of current ensartinib trials.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT02767804 eXalt3: Study Comparing X-396 (Ensartinib) to Crizotinib in ALK Positive Non-Small Cell Lung Cancer (NSCLC) Patients Phase 3 Interventional Xcovery Holding Company, LLC