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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL63323
CHEMBL63323
Compound Name NIFLUMIC ACID
ChEMBL Synonyms UP 83 | NIFLUMIC ACID
Max Phase 0
Trade Names
Molecular Formula C13H9F3N2O2

Additional synonyms for CHEMBL63323 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
Standard InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12( ...
Download InChI
Standard InChI Key JZFPYUNJRRFVQU-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • DrugMatrix
  • 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


CHEMBL63323

Molecule Features

CHEMBL63323 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ArthralgiaD018771HP:0002829arthralgia0ATC
MyalgiaD063806HP:0003326Myalgia0ATC
Rheumatic DiseasesD012216EFO:0005755rheumatic disease0ATC

Clinical Data

ClinicalTrials.gov NIFLUMIC ACID
The Cochrane Collaboration NIFLUMIC 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 CHEMBL63323. 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
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.999
CHEMBL2599 Tyrosine-protein kinase SYK Homo sapiens 0.997
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 0.991
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.965
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.776
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 0.624
CHEMBL4794 Vanilloid receptor Homo sapiens 0.571
CHEMBL5102 Vanilloid receptor Rattus norvegicus 0.559
CHEMBL4128 Tyrosine-protein kinase TIE-2 Homo sapiens 0.549
CHEMBL4017 Sodium channel protein type X alpha subunit Rattus norvegicus 0.420



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 1.000
CHEMBL1293316 Relaxin receptor 1 Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.999
CHEMBL2599 Tyrosine-protein kinase SYK Homo sapiens 0.998
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 0.995
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.989
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.924
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 0.883
CHEMBL4722 Serine/threonine-protein kinase Aurora-A Homo sapiens 0.859
CHEMBL4128 Tyrosine-protein kinase TIE-2 Homo sapiens 0.812
CHEMBL4794 Vanilloid receptor Homo sapiens 0.801
CHEMBL5102 Vanilloid receptor Rattus norvegicus 0.686
CHEMBL4017 Sodium channel protein type X alpha subunit Rattus norvegicus 0.612
CHEMBL5847 Aldo-keto reductase family 1 member C2 Homo sapiens 0.386

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
282.2 282.0616 3.54 3 62.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.7 4.71 4.46 1.34 2 20 0.9

Structural Alerts

There are no structural alerts for CHEMBL63323

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
M02AA17 - niflumic acid

M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AX - Other antiinflammatory and antirheumatic agents, non-steroids
M01AX02 - niflumic acid

ChemSpider ChemSpider:JZFPYUNJRRFVQU-UHFFFAOYSA-N
PubChem SID: 104171198 SID: 11111518 SID: 11111519 SID: 124880841 SID: 124880844 SID: 124880846 SID: 144203757 SID: 170466463 SID: 26747041 SID: 26751559 SID: 50104166 SID: 56423150 SID: 85231149 SID: 855922 SID: 90341015

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL63323



ACToR 4394-00-7
BindingDB 85507
ChEBI 34888
DrugBank DB04552
DrugCentral 1925
eMolecules 592427
EPA CompTox Dashboard DTXSID1023368
FDA SRS 4U5MP5IUD8
Guide to Pharmacology 2439
Human Metabolome Database HMDB0015573
IBM Patent System 6B680BF18F9EA3E108E970662504918E
KEGG Ligand C13698
LINCS LSM-6016
Mcule MCULE-3027710274
MolPort MolPort-000-140-647
Nikkaji J9.623G
PDBe NFL
PharmGKB PA164746749
PubChem 4488
PubChem: Thomson Pharma 14750946
Selleck niflumic-acid
SureChEMBL SCHEMBL24706
ZINC ZINC000000125031

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