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
SMILES / InChI / InChIKey
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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)
InChI Key KHPKQFYUPIUARC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes
IUPAC Name Click here for help
2-[2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl]acetic acid
International Nonproprietary Names Click here for help
INN number INN
8151 lumiracoxib
Synonyms Click here for help
Prexige®
Database Links Click here for help
CAS Registry No. 220991-20-8 (source: Scifinder)
ChEBI CHEBI:524824
ChEMBL Ligand CHEMBL404108
DrugBank Ligand DB01283
DrugCentral Ligand 1618
GtoPdb PubChem SID 178100246
PubChem CID 151166
RCSB PDB Ligand LUR
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Wikipedia Lumiracoxib