General Information of Drug (ID: DM1S4AG)

Drug Name
Lumiracoxib
Synonyms
Joicela; Prexige; Novartis brand of lumiracoxib; COX 189; COX189; COX-189; Lumiracoxib [USAN:INN]; Prexige (Novartis); Prexige (TN); Lumiracoxib (USAN/INN); 2-((2-Chloro-6-fluorophenyl)amino)-5-methylbenzeneacetic acid; 2-((2-Chloro-6-fluorophenyl)amino)-5-methylphenyl)acetic acid; 2-(2-((2-chloro-6-fluoro-phenyl)amino)-5-methyl-phenyl)acetic acid; 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid
Indication
Disease Entry ICD 11 Status REF
Knee osteoarthritis FA01 Approved [1], [2]
Therapeutic Class
Antiinflammatory Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 293.72
Topological Polar Surface Area (xlogp) 4.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 2: low solubility and high permeability [3]
Bioavailability
74% of drug becomes completely available to its intended biological destination(s) [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 4 hours [5]
Metabolism
The drug is metabolized via the hepatic [6]
Chemical Identifiers
Formula
C15H13ClFNO2
IUPAC Name
2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid
Canonical SMILES
CC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)CC(=O)O
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)
InChIKey
KHPKQFYUPIUARC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
151166
ChEBI ID
CHEBI:73044
CAS Number
220991-20-8
DrugBank ID
DB01283
TTD ID
D04YMH
VARIDT ID
DR01172
INTEDE ID
DR0993

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin G/H synthase 2 (COX-2) TTVKILB PGH2_HUMAN Inhibitor [7]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2C9 (CYP2C9) DE5IED8 CP2C9_HUMAN Substrate [8]
Mephenytoin 4-hydroxylase (CYP2C19) DEGTFWK CP2CJ_HUMAN Substrate [8]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [8]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DE85D2P UD19_HUMAN Substrate [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Knee osteoarthritis
ICD Disease Classification FA01
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostaglandin G/H synthase 2 (COX-2) DTT PTGS2 7.93E-04 -0.29 -0.34
Cytochrome P450 1A2 (CYP1A2) DME CYP1A2 7.36E-01 1.62E-02 1.08E-01
Mephenytoin 4-hydroxylase (CYP2C19) DME CYP2C19 2.40E-01 -3.31E-02 -1.97E-01
Cytochrome P450 2C9 (CYP2C9) DME CYP2C9 1.90E-01 -9.81E-03 -5.96E-02
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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