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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1614641
CHEMBL1614641
Compound Name FLUNOXAPROFEN
ChEMBL Synonyms FLUNOXAPROFEN
Max Phase 0
Trade Names
Molecular Formula C16H12FNO3

Additional synonyms for CHEMBL1614641 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](C(=O)O)c1ccc2oc(nc2c1)c3ccc(F)cc3
Standard InChI InChI=1S/C16H12FNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21 ...
Download InChI
Standard InChI Key ARPYQKTVRGFPIS-VIFPVBQESA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1614641

Molecule Features

CHEMBL1614641 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer 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
RHEUMATIC DISEASESD012216EFO:0005755RHEUMATIC DISEASE4
VAGINITISD014627EFO:0005757VAGINAL INFLAMMATION4

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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 CHEMBL1614641. 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
CHEMBL3572 Cholesteryl ester transfer protein Homo sapiens 1.000
CHEMBL3921 Heparanase Homo sapiens 1.000
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.957
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.948
CHEMBL6145 Inosine-5'-monophosphate dehydrogenase, probable Cryptosporidium parvum 0.931
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.721



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3572 Cholesteryl ester transfer protein Homo sapiens 1.000
CHEMBL3921 Heparanase Homo sapiens 1.000
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.981
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.972
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.946
CHEMBL6145 Inosine-5'-monophosphate dehydrogenase, probable Cryptosporidium parvum 0.898
CHEMBL5678 G protein-coupled receptor kinase 5 Homo sapiens 0.717
CHEMBL3471 Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 0.712
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.481
CHEMBL230 Cyclooxygenase-2 Homo sapiens 0.320
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.315
CHEMBL4079 G-protein coupled receptor kinase 2 Homo sapiens 0.217

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
285.3 285.0801 3.61 3 63.33 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.36 .52 3.18 .56 3 21 0.8

Structural Alerts

There are no structural alerts for CHEMBL1614641

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AE - Propionic acid derivatives
M01AE15 - flunoxaprofen

G - GENITO URINARY SYSTEM AND SEX HORMONES
G02 - OTHER GYNECOLOGICALS
G02C - OTHER GYNECOLOGICALS
G02CC - Antiinflammatory products for vaginal administration
G02CC04 - flunoxaprofen

ChemSpider ChemSpider:ARPYQKTVRGFPIS-VIFPVBQESA-N
Wikipedia Flunoxaprofen

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1614641



ChEBI 76154
FDA SRS UKU5U19W9M
PubChem 68869
PubChem: Drugs of the Future 12013514
SureChEMBL SCHEMBL25196

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