Comment: TNG260 is an HDAC1 inhibitor with activity at the HDAC1/LSD1/RCOR1 (REST corepressor 1) complex. The compound reverses anti-PD1 resistance (immune evasion phenotype) that is driven by loss-of-function mutations in serine/threonine kinase 11 (STK11; LKB1). TNG260 is designed for potential to treat STK11 mutant cancers in combination with checkpoint inhibition. The chemical structure was disclosed during the 'First Disclosures of New Drug Candidates' session at the April 2023 (Orlando) meeting of the AACR.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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5
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Hydrogen bond donors
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3
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Rotatable bonds
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5
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Topological polar surface area
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104.42
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Molecular weight
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383.44
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XLogP
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1.27
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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CS(=N)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=C(C=C3)F)N
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Isomeric SMILES
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CS(=N)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2N)C3=CC=C(F)C=C3
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InChI
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InChI=1S/C20H18FN3O2S/c1-27(23,26)17-9-4-14(5-10-17)20(25)24-19-12-15(6-11-18(19)22)13-2-7-16(21)8-3-13/h2-12,23H,22H2,1H3,(H,24,25)
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InChI Key
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JPFMYSJUFUEHBI-UHFFFAOYSA-N
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