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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1765291
CHEMBL1765291
Compound Name ZALTOPROFEN
ChEMBL Synonyms ZALTOPROFEN
Max Phase 0
Trade Names
Molecular Formula C17H14O3S

Additional synonyms for CHEMBL1765291 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C(=O)O)c1ccc2Sc3ccccc3C(=O)Cc2c1
Standard InChI InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18) ...
Download InChI
Standard InChI Key MUXFZBHBYYYLTH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1765291

Molecule Features

CHEMBL1765291 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

Clinical Data

ClinicalTrials.gov ZALTOPROFEN
The Cochrane Collaboration ZALTOPROFEN

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 CHEMBL1765291. 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 0.953
CHEMBL221 Cyclooxygenase-1 Homo sapiens 0.920
CHEMBL231 Histamine H1 receptor Homo sapiens 0.759
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 0.556

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.645
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.503
CHEMBL231 Histamine H1 receptor Homo sapiens 0.255
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.251

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
298.4 298.0664 3.76 2 54.37 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.21 - 4.25 1.17 2 21 0.92

Structural Alerts

There are 1 structural alerts for CHEMBL1765291. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MUXFZBHBYYYLTH-UHFFFAOYSA-N
PubChem SID: 144207183 SID: 170465838

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1765291



ACToR 74711-43-6 89482-00-8
ChEBI 32306
DrugBank DB06737
DrugCentral 2858
eMolecules 1989570
EPA CompTox Dashboard DTXSID0049076
IBM Patent System 52838070DBE7425672ECD98684106421
Mcule MCULE-8558046828
MolPort MolPort-003-850-875
Nikkaji J549.473G J549.474E J22.089B
PubChem 5720
PubChem: Drugs of the Future 12013165
PubChem: Thomson Pharma 14898292
Selleck zaltoprofen
SureChEMBL SCHEMBL124047

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