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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1071
CHEMBL1071
Compound Name OXAPROZIN
ChEMBL Synonyms WY-21,743 | DAYPRO | DAYPRO ALTA | OXAPROZIN | OXAPROZIN POTASSIUM
Max Phase 4 (Approved)
Trade Names DAYPRO ALTA | DAYPRO | OXAPROZIN
Molecular Formula C18H15NO3

Additional synonyms for CHEMBL1071 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3
Standard InChI InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13) ...
Download InChI
Standard InChI Key OFPXSFXSNFPTHF-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • 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


CHEMBL1071

Molecule Features

CHEMBL1071 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 DailyMed PubMed PubMed PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Rheumatic DiseasesD012216EFO:0005755rheumatic disease4ATC

Clinical Data

ClinicalTrials.gov OXAPROZIN
The Cochrane Collaboration OXAPROZIN

Metabolites for CHEMBL1071

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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 CHEMBL1071. 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
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL1995 Prostanoid IP receptor Homo sapiens 0.932
CHEMBL2458 Peroxisome proliferator-activated receptor delta Mus musculus 0.887
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.866
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 0.538
CHEMBL2052036 Omega-3 fatty acid receptor 1 Mus musculus 0.535
CHEMBL5339 G-protein coupled receptor 120 Homo sapiens 0.528
CHEMBL221 Cyclooxygenase-1 Homo sapiens 0.338
CHEMBL2083 Fatty acid binding protein adipocyte Homo sapiens 0.260
CHEMBL4801 Caspase-1 Homo sapiens 0.223



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.947
CHEMBL4801 Caspase-1 Homo sapiens 0.939
CHEMBL2458 Peroxisome proliferator-activated receptor delta Mus musculus 0.741
CHEMBL1995 Prostanoid IP receptor Homo sapiens 0.662
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 0.573
CHEMBL3344 Fatty acid binding protein muscle Homo sapiens 0.518
CHEMBL2052036 Omega-3 fatty acid receptor 1 Mus musculus 0.494
CHEMBL2635 Dual specificity protein phosphatase 3 Homo sapiens 0.487
CHEMBL2889 Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP Homo sapiens 0.367
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.300
CHEMBL5339 G-protein coupled receptor 120 Homo sapiens 0.284
CHEMBL2083 Fatty acid binding protein adipocyte Homo sapiens 0.281

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
293.3 293.1052 4.03 5 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
4.28 .8 3.15 .09 3 22 0.77

Structural Alerts

There are no structural alerts for CHEMBL1071

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AE - Propionic acid derivatives
M01AE12 - oxaprozin

ChemSpider ChemSpider:OFPXSFXSNFPTHF-UHFFFAOYSA-N
DailyMed oxaprozin
PubChem SID: 11110656 SID: 11110657 SID: 144203610 SID: 170464987 SID: 26719634 SID: 26747622 SID: 4254158 SID: 455291 SID: 50106813 SID: 50106814 SID: 85230870 SID: 90340983
Wikipedia Oxaprozin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1071



ACToR 21256-18-8
Atlas oxaprozin
BindingDB 50002861
ChEBI 7822
DrugBank DB00991
DrugCentral 2013
eMolecules 593100
EPA CompTox Dashboard DTXSID1045118
FDA SRS MHJ80W9LRB
Guide to Pharmacology 7252
Human Metabolome Database HMDB0015126
IBM Patent System F9CB18FCEC5EED76C67A6091F0B16066
KEGG Ligand C07356
LINCS LSM-2553
Mcule MCULE-7099031811
MolPort MolPort-000-146-829
NIH Clinical Collection SAM001246770
Nikkaji J10.781F
PharmGKB PA450730
PubChem 4614
PubChem: Drugs of the Future 12013314
PubChem: Thomson Pharma 14922602
SureChEMBL SCHEMBL3286
ZINC ZINC000049643479

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