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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1213420
CHEMBL1213420
Compound Name DROXICAM
ChEMBL Synonyms DROXICAM
Max Phase 0
Trade Names
Molecular Formula C16H11N3O5S

Additional synonyms for CHEMBL1213420 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C2=C(OC(=O)N(C2=O)c3ccccn3)c4ccccc4S1(=O)=O
Standard InChI InChI=1S/C16H11N3O5S/c1-18-13-14(10-6-2-3-7-11(10)25(18,22)2 ...
Download InChI
Standard InChI Key OEHFRZLKGRKFAS-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1213420

Molecule Features

CHEMBL1213420 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule 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 DROXICAM
The Cochrane Collaboration DROXICAM

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 CHEMBL1213420. 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
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.961
CHEMBL1741176 X-box-binding protein 1 Homo sapiens 0.757
CHEMBL4567 Phosphodiesterase 5A Rattus norvegicus 0.402

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3784 Histone acetyltransferase p300 Homo sapiens 0.947
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.455

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
357.4 357.0419 0.99 1 102.48 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.8 2.07 2.07 3 25 0.64

Structural Alerts

There are no structural alerts for CHEMBL1213420

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AC - Oxicams
M01AC04 - droxicam

ChemSpider ChemSpider:OEHFRZLKGRKFAS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1213420



ACToR 90101-16-9
ChEBI 76133
DrugBank DB09215
DrugCentral 970
EPA CompTox Dashboard DTXSID70238035
FDA SRS F24ADO1E2D
IBM Patent System DA4B7F400060AA355358A1C39DF42B16
MolPort MolPort-005-942-308
Nikkaji J25.832F
PharmGKB PA166049182
PubChem 65679
PubChem: Drugs of the Future 12013461
PubChem: Thomson Pharma 14754568
SureChEMBL SCHEMBL24974
ZINC ZINC000000597502

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