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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110623
CHEMBL2110623
Compound Name CEFAZAFLUR
ChEMBL Synonyms SK&F 59962 | CEFAZAFLUR | CEFAZAFLUR SODIUM
Max Phase 0
Trade Names
Molecular Formula C13H13F3N6O4S3

Additional synonyms for CHEMBL2110623 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CSC(F)(F)F)C3=O)C(=O) ...
Download SMILES
Standard InChI InChI=1S/C13H13F3N6O4S3/c1-21-12(18-19-20-21)28-3-5-2-27-10- ...
Download InChI
Standard InChI Key HGXLJRWXCXSEJO-GMSGAONNSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2110623

Molecule Features

CHEMBL2110623 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CEFAZAFLUR
The Cochrane Collaboration CEFAZAFLUR

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 CHEMBL2110623. 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
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.898
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.698
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.407
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.304

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.324
CHEMBL4114 Beta-lactamase Staphylococcus aureus 0.213

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
470.5 470.0113 0.29 7 130.31 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 2 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.62 .67 .59 -3.13 1 29 0.42

Structural Alerts

There are 3 structural alerts for CHEMBL2110623. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HGXLJRWXCXSEJO-GMSGAONNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110623



ACToR 58665-96-6
EPA CompTox Dashboard DTXSID30207368
FDA SRS 97I0692RNT
Nikkaji J14.688I
PubChem 40240
PubChem: Thomson Pharma 15257496
ZINC ZINC000004215226

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