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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL509
CHEMBL509
Compound Name MECLOFENAMIC ACID
ChEMBL Synonyms Meclodium | CI-583 | Meclomen | INF 4668 | MECLOFENAMATE SODIUM | CL-583.NA SALT | Meclofenamate | CL-583 | MECLOFENAMIC ACID
Max Phase 4 (Approved)
Trade Names MECLOFENAMATE SODIUM | Meclomen | Meclodium
Molecular Formula C14H11Cl2NO2

Additional synonyms for CHEMBL509 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl
Standard InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2- ...
Download InChI
Standard InChI Key SBDNJUWAMKYJOX-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL509

Molecule Features

CHEMBL509 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:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Arachidonate 5-lipoxygenase inhibitor Arachidonate 5-lipoxygenase DailyMed PubMed
Cyclooxygenase inhibitor Cyclooxygenase DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
MyalgiaD063806HP:0003326Myalgia4ATC
ArthralgiaD018771HP:0002829arthralgia4ATC
Rheumatic DiseasesD012216EFO:0005755rheumatic disease4ATC

Clinical Data

ClinicalTrials.gov MECLOFENAMIC ACID
The Cochrane Collaboration MECLOFENAMIC ACID

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 CHEMBL509. 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
CHEMBL2949 Cyclooxygenase-1 Ovis aries 1.000
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 1.000
CHEMBL5847 Aldo-keto reductase family 1 member C2 Homo sapiens 0.998
CHEMBL2434 Interleukin-8 receptor B Homo sapiens 0.994
CHEMBL3194 Transthyretin Homo sapiens 0.991
CHEMBL5658 Prostaglandin E synthase Homo sapiens 0.969
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.945
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 0.601
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.239



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5847 Aldo-keto reductase family 1 member C2 Homo sapiens 1.000
CHEMBL2949 Cyclooxygenase-1 Ovis aries 1.000
CHEMBL3194 Transthyretin Homo sapiens 1.000
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 0.999
CHEMBL2434 Interleukin-8 receptor B Homo sapiens 0.999
CHEMBL5905 Aldo-keto reductase family 1 member C1 Homo sapiens 0.993
CHEMBL5658 Prostaglandin E synthase Homo sapiens 0.974
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 0.837
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.259
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.206

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
296.2 295.0167 4.74 3 49.33 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.59 - 5.44 2.37 2 19 0.86

Structural Alerts

There are no structural alerts for CHEMBL509

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M02 - TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02A - TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02AA - Antiinflammatory preparations, non-steroids for topical use
M02AA18 - meclofenamic acid

M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AG - Fenamates
M01AG04 - meclofenamic acid

ChemSpider ChemSpider:SBDNJUWAMKYJOX-UHFFFAOYSA-N
DailyMed meclofenamate sodium
PubChem SID: 24424562 SID: 26751537 SID: 90341585
Wikipedia Meclofenamic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL509



ACToR 644-62-2
BindingDB 22971
Brenda 5993 14076
ChEBI 6710
DrugBank DB00939
DrugCentral 1650
eMolecules 5753451
EPA CompTox Dashboard DTXSID0048559
FDA SRS 48I5LU4ZWD
Guide to Pharmacology 7219
Human Metabolome Database HMDB0015074
IBM Patent System 2D47B6906613AD87A94B22AD8981E938
KEGG Ligand C07117
LINCS LSM-3108
Nikkaji J7.065C
NMRShiftDB 20032692
PDBe JMS
PharmGKB PA450341
PubChem 4037
PubChem: Thomson Pharma 14800267
SureChEMBL SCHEMBL106
ZINC ZINC000000001655

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