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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1566249
CHEMBL1566249
Compound Name AMPIROXICAM
ChEMBL Synonyms CP-65703 | AMPIROXICAM
Max Phase 0
Trade Names
Molecular Formula C20H21N3O7S

Additional synonyms for CHEMBL1566249 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)OC(C)OC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)Nc3ccccn3
Standard InChI InChI=1S/C20H21N3O7S/c1-4-28-20(25)30-13(2)29-18-14-9-5-6-10 ...
Download InChI
Standard InChI Key LSNWBKACGXCGAJ-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1566249

Molecule Features

CHEMBL1566249 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 AMPIROXICAM
The Cochrane Collaboration AMPIROXICAM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
447.5 447.11 2.56 6 124.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 0 10 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.74 3.54 1.29 1.29 2 31 0.53

Structural Alerts

There are 7 structural alerts for CHEMBL1566249. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LSNWBKACGXCGAJ-UHFFFAOYSA-N
PubChem SID: 144205780 SID: 170466020 SID: 26758027

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1566249



ACToR 99464-64-9
ChEBI 31210
DrugCentral 199
eMolecules 1985493
EPA CompTox Dashboard DTXSID6046474
IBM Patent System AE109CAC0F054C278073A8FA8D60A3D2
LINCS LSM-5043
Metabolights MTBLC31210
MolPort MolPort-005-937-968
NIH Clinical Collection SAM001246707
Nikkaji J1.625.340E
PubChem 2176
PubChem: Drugs of the Future 12013594
PubChem: Thomson Pharma 14930856
Selleck ampiroxicam
SureChEMBL SCHEMBL49363

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