LSZ102   Click here for help

GtoPdb Ligand ID: 12145

Synonyms: compound 10 [PMID: 29562737] | LSZ-102
PDB Ligand
Compound class: Synthetic organic
Comment: LSZ102 is a potent and orally bioavailable selective estrogen receptor degrader (SERD) [1]. It was developed for as a potential treatment for ERα positive breast cancer.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 95
Molecular weight 470.08
XLogP 6.61
No. Lipinski's rules broken 1
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Canonical SMILES OC(=O)/C=C/c1ccc(cc1)Oc1c(sc2c1ccc(c2)O)c1ccc(cc1C(F)(F)C)F
Isomeric SMILES FC(C)(F)c1c(ccc(c1)F)c1c(c2c(s1)cc(cc2)O)Oc1ccc(cc1)/C=C/C(=O)O
InChI InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+
1. Tria GS, Abrams T, Baird J, Burks HE, Firestone B, Gaither LA, Hamann LG, He G, Kirby CA, Kim S et al.. (2018)
Discovery of LSZ102, a Potent, Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen Receptor Positive Breast Cancer.
J Med Chem, 61 (7): 2837-2864. [PMID:29562737]