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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1765293
CHEMBL1765293
Compound Name ALMINOPROFEN
ChEMBL Synonyms ALMINOPROFEN
Max Phase 0
Trade Names
Molecular Formula C13H17NO2

Additional synonyms for CHEMBL1765293 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C(=O)O)c1ccc(NCC(=C)C)cc1
Standard InChI InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)1 ...
Download InChI
Standard InChI Key FPHLBGOJWPEVME-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1765293

Molecule Features

CHEMBL1765293 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture 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
Rheumatic DiseasesD012216EFO:0005755rheumatic disease0ATC

Clinical Data

ClinicalTrials.gov ALMINOPROFEN
The Cochrane Collaboration ALMINOPROFEN

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 CHEMBL1765293. 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 0.277

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.331

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
219.3 219.1259 2.86 5 49.33 NEUTRAL


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
- 4.86 1.26 -1.35 1 16 0.75

Structural Alerts

There are 2 structural alerts for CHEMBL1765293. To view alerts please click here.

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AE - Propionic acid derivatives
M01AE16 - alminoprofen

ChemSpider ChemSpider:FPHLBGOJWPEVME-UHFFFAOYSA-N
Wikipedia Alminoprofen

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1765293



ACToR 71589-39-4 39718-89-3 54362-71-9 74370-52-8
ChEBI 31190
DrugBank DB13314
DrugCentral 126
IBM Patent System 6570423B7C5B4501BE683F4D96248B62
Nikkaji J71.058J J71.057A J16.728B
PubChem 2097
PubChem: Drugs of the Future 12013322
PubChem: Thomson Pharma 15092895
SureChEMBL SCHEMBL26940

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