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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL599
CHEMBL599
Compound Name MELOXICAM
ChEMBL Synonyms UH-AC 62XX | MELOXICAM | UHAC-62XX | VIVLODEX | MOBIC | Meloxicam Sodium
Max Phase 4 (Approved)
Trade Names MOBIC | VIVLODEX | MELOXICAM
Molecular Formula C14H13N3O4S2

Additional synonyms for CHEMBL599 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ncc(C)s3
Standard InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9- ...
Download InChI
Standard InChI Key ZRVUJXDFFKFLMG-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL599

Molecule Features

CHEMBL599 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cyclooxygenase-2 inhibitor Cyclooxygenase-2 PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PainD010146EFO:0003843pain3ClinicalTrials
Arthritis, JuvenileD001171EFO:0002609chronic childhood arthritis3ClinicalTrials
OsteoarthritisD010003EFO:0002506osteoarthritis4ClinicalTrials
FDA
Lupus Erythematosus, SystemicD008180EFO:0002690systemic lupus erythematosus1ClinicalTrials
TuberculosisD014376Orphanet:3389Tuberculosis3ClinicalTrials
Arthritis, RheumatoidD001172EFO:0000685rheumatoid arthritis4ClinicalTrials
FDA
Prostatic NeoplasmsD011471EFO:0000673prostate adenocarcinoma3ClinicalTrials
DysmenorrheaD0044122ClinicalTrials
Rheumatic DiseasesD012216EFO:0005755rheumatic disease4ATC
ATC
Spondylitis, AnkylosingD013167EFO:0003898ankylosing spondylitis3ClinicalTrials

Clinical Data

ClinicalTrials.gov MELOXICAM
The Cochrane Collaboration MELOXICAM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL599. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2392 DNA polymerase beta Homo sapiens 0.306

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.375
CHEMBL1293313 M17 leucyl aminopeptidase Plasmodium falciparum 3D7 0.342

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
351.4 351.0347 1.95 2 99.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 3.18 2.66 -.22 2 23 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL599. To view alerts please click here.

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AC - Oxicams
M01AC06 - meloxicam

M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AC - Oxicams
M01AC56 - meloxicam, combinations

ChemSpider ChemSpider:ZRVUJXDFFKFLMG-UHFFFAOYSA-N
DailyMed meloxicam
PubChem SID: 144205287 SID: 144206743 SID: 144208887 SID: 144213073 SID: 170464857 SID: 26747003 SID: 50085983 SID: 855815
Wikipedia Meloxicam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL599



ACToR 71125-38-7
Atlas meloxicam
BindingDB 50056998
Brenda 5320 74731
ChEBI 6741
ChemicalBook CB2191355
DrugBank DB00814
DrugCentral 1676
eMolecules 902094
EPA CompTox Dashboard DTXSID1020803
FDA SRS VG2QF83CGL
Guide to Pharmacology 7220
Human Metabolome Database HMDB0014952
IBM Patent System BD17A8B83AD4E966CAE075C8016C13E3
KEGG Ligand C08169
Mcule MCULE-4138373089
Metabolights MTBLC6741
MolPort MolPort-002-885-839
NIH Clinical Collection SAM002589991
Nikkaji J22.773K
PDBe MXM
PubChem 54677470
PubChem: Drugs of the Future 12013466
PubChem: Thomson Pharma 14754262
Selleck Meloxicam(Mobic)
SureChEMBL SCHEMBL3576
ZINC ZINC000013129998

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ZRVUJXDFFKFLMG-UHFFFAOYSA-N spacer
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