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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL686
CHEMBL686
Compound Name MEFENAMIC ACID
ChEMBL Synonyms MEFLAM 500 | INF-3355 | CN-35355 | CI-473 | DYSMAN-250 | PONSTAN FTE | OPUSTAN 500 | MEFENAMIC ACID | CONTRAFLAM | PONSTAN | PONSTEL | MEFLAM 250 | MENDYS | OPUSTAN 250 | DYSMAN-500
Max Phase 4 (Approved)
Trade Names DYSMAN-500 | OPUSTAN 250 | MEFLAM 250 | MEFLAM 500 | PONSTEL | DYSMAN-250 | PONSTAN FTE | CONTRAFLAM | MEFENAMIC ACID | OPUSTAN 500 | MENDYS | PONSTAN
Molecular Formula C15H15NO2

Additional synonyms for CHEMBL686 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(Nc2ccccc2C(=O)O)c1C
Standard InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(1 ...
Download InChI
Standard InChI Key HYYBABOKPJLUIN-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • 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


CHEMBL686

Molecule Features

CHEMBL686 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 inhibitor Cyclooxygenase PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DysmenorrheaD0044122ClinicalTrials
Rheumatic DiseasesD012216EFO:0005755rheumatic disease4ATC
HemorrhageD006470MP:0001914hemorrhage3ClinicalTrials
Diabetes MellitusD003920EFO:0000400diabetes mellitus1ClinicalTrials
PainD010146EFO:0003843pain2ClinicalTrials

Clinical Data

ClinicalTrials.gov MEFENAMIC ACID
The Cochrane Collaboration MEFENAMIC 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 CHEMBL686. 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
CHEMBL5847 Aldo-keto reductase family 1 member C2 Homo sapiens 1.000
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 1.000
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.999
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 0.999
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.825
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.625
CHEMBL2996 Protein kinase C delta Homo sapiens 0.550
CHEMBL2135 P2X purinoceptor 2 Rattus norvegicus 0.527
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.338
CHEMBL2392 DNA polymerase beta Homo sapiens 0.228



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5847 Aldo-keto reductase family 1 member C2 Homo sapiens 1.000
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 1.000
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 1.000
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.995
CHEMBL5905 Aldo-keto reductase family 1 member C1 Homo sapiens 0.977
CHEMBL1293316 Relaxin receptor 1 Homo sapiens 0.966
CHEMBL1293313 M17 leucyl aminopeptidase Plasmodium falciparum 3D7 0.880
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.719
CHEMBL3194 Transthyretin Homo sapiens 0.704
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.693
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.600
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.554
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.489
CHEMBL2392 DNA polymerase beta Homo sapiens 0.449
CHEMBL2996 Protein kinase C delta Homo sapiens 0.391
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.363
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.243

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
241.3 241.1103 3.75 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
3.73 - 4.83 1.88 2 18 0.86

Structural Alerts

There are no structural alerts for CHEMBL686

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AG - Fenamates
M01AG01 - mefenamic acid

ChemSpider ChemSpider:HYYBABOKPJLUIN-UHFFFAOYSA-N
DailyMed mefenamic acid
PubChem SID: 104171280 SID: 11112163 SID: 124882006 SID: 144203895 SID: 144212300 SID: 170464813 SID: 26746974 SID: 26751493 SID: 56422190 SID: 855723
Wikipedia Mefenamic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL686



ACToR 61-68-7
Atlas mefenamic acid
BindingDB 50134036
Brenda 2086
ChEBI 6717
ChemicalBook CB5472051
DrugBank DB00784
DrugCentral 1663
eMolecules 591932
EPA CompTox Dashboard DTXSID5023243
FDA SRS 367589PJ2C
Guide to Pharmacology 2593
Human Metabolome Database HMDB0014922
IBM Patent System D41791DEE0E5E8D60C05091CF1060498
KEGG Ligand C02168
LINCS LSM-4085
Mcule MCULE-1031776135
MolPort MolPort-001-839-968
NIH Clinical Collection SAM002554908
Nikkaji J2.344B
NMRShiftDB 20032693
PDBe ID8
PharmGKB PA450347
PubChem 4044
PubChem: Thomson Pharma 14847469
Selleck mefenamic-acid
SureChEMBL SCHEMBL3544
ZINC ZINC000000020241

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