selatinib   Click here for help

GtoPdb Ligand ID: 9919

Compound class: Synthetic organic
Comment: Selatinib (L-2) is a dual EGFR/HER2 receptor tyrosine kinase inhibitor that was developed for anti-cancer potential [1]. It is an anlogue of lapatinib and shares the same mechanism of action, but has an improved pharmacokinetic profile, with bioavailability at 187% of that of lapatinib. The tosylate salt form of selatinib is highly soluble. Selatinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 108.49
Molecular weight 564.14
XLogP 4.6
No. Lipinski's rules broken 1
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Canonical SMILES CS(=O)CCNCc1ccc(o1)c1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F
Isomeric SMILES CS(=O)CCNCc1ccc(o1)c1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F
InChI InChI=1S/C29H26ClFN4O3S/c1-39(36)12-11-32-16-23-7-10-27(38-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)37-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
No information available.
Summary of Clinical Use Click here for help has only one registered selatinib trial, NCT01931943 (for advanced breast cancer), but the status of this trial is unknown (as of April 2018).
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT01931943 A Phase Ib Study of Selatinib Ditosilate Tablets in Patients With Advanced Breast Cancer Phase 1 Interventional Qilu Pharmaceutical Co., Ltd.