lumiracoxib   Click here for help

GtoPdb Ligand ID: 2897

Synonyms: Prexige®
Approved drug PDB Ligand Immunopharmacology Ligand
lumiracoxib is an approved drug
Compound class: Synthetic organic
Comment: Lumiracoxib is a carboxylic acid, selective COX-2 inhibitor, non-steroidal anti-inflammatory (NSAID) drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 49.33
Molecular weight 293.06
XLogP 3.88
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)Cc1cc(C)ccc1Nc1c(F)cccc1Cl
Isomeric SMILES OC(=O)Cc1cc(C)ccc1Nc1c(F)cccc1Cl
InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
COX-2 Primary target of this compound Hs Inhibitor Inhibition 6.5 pKi - 1
pKi 6.5 (Ki 3.2x10-7 M) [1]