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+
Selectivity at nuclear hormone receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Estrogen receptor-α Hs Antagonist Antagonist 9.5 pIC50 - 1
pIC50 9.5 (IC50 3x10-10 M) [1]
Description: Measuring inhibition of ER-mediated gene transcription in a luciferase reporter assay