4-OMe-ARM1   Click here for help

GtoPdb Ligand ID: 10562

Synonyms: compound 7 [PMID: 31751136]
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: 4-OMe-ARM1 is an activator of leukotriene A4 hydrolase aminopeptidase activity [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 76.38
Molecular weight 296.1
XLogP 3.92
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(cc1)Cc1ccc(cc1)c1csc(n1)N
Isomeric SMILES COc1ccc(cc1)Cc1ccc(cc1)c1csc(n1)N
InChI InChI=1S/C17H16N2OS/c1-20-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)16-11-21-17(18)19-16/h2-9,11H,10H2,1H3,(H2,18,19)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Leukotriene A4 hydrolase Hs Activator Activation - - - 1
AC50= 83 nM [1]