LYS006   Click here for help

GtoPdb Ligand ID: 11205

Synonyms: LYS-006
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: LYS006 is one of the chemical structures claimed in a Novartis patent as inhibitors of leukotriene A4 hydrolase (LTA4H) [1]. Both the (R) and (S) stereoisomers are claimed (examples 3 and 29 respectively). Both isomers have similar inhibitory potency in vitro. The (3S)-enantiomer was disclosed as LYS006 in 2021 [2], and at that point we modified our record to reflect this updated information. LYS006 is being developed for immunomodulatory action that can be applied to acute and chronic inflammation and autoinflammatory disorders.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 129.04
Molecular weight 392.08
XLogP 2.82
No. Lipinski's rules broken 0
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Canonical SMILES N[C@H](Cn1nnc(n1)c1ccc(cc1)Oc1ncc(cc1F)Cl)CC(=O)O
Isomeric SMILES N[C@H](Cn1nnc(n1)c1ccc(cc1)Oc1ncc(cc1F)Cl)CC(=O)O
InChI InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1
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Summary of Clinical Use Click here for help
LYS006 has progressed to clinical evaluation in inflammatory and fibrotic conditions.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04074590 Study of Efficacy, Safety, and Tolerability of LYS006, in Patients With Mild to Moderate Ulcerative Colitis Phase 2 Interventional Novartis
NCT03827798 Study of Efficacy and Safety of Investigational Treatments in Patients With Moderate to Severe Hidradenitis Suppurativa Phase 2 Interventional Novartis
NCT04147195 Study of Various Treatments in Non-alcoholic Fatty Liver Disease (NAFLD) Patients Who Have Aspects of Non-alcoholic Steatohepatitis (NASH) Phase 2 Interventional Novartis
NCT03497897 Study to Assess the Efficacy and Safety of LYS006 in Patients With Moderate to Severe Inflammatory Acne Phase 2 Interventional Novartis