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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1689069
CHEMBL1689069
Compound Name CEFUZONAM
ChEMBL Synonyms CEFUZONAM | CEFUZONAM SODIUM
Max Phase 0
Trade Names
Molecular Formula C16H15N7O5S4

Additional synonyms for CHEMBL1689069 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3cnns3)\c4 ...
Download SMILES
Standard InChI InChI=1S/C16H15N7O5S4/c1-28-21-9(7-5-31-16(17)19-7)12(24)20- ...
Download InChI
Standard InChI Key CXHKZHZLDMQGFF-ZSDSSEDPSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1689069

Molecule Features

CHEMBL1689069 compound icon
Drug Type:Natural Product-derived Rule of Five:N 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 CEFUZONAM
The Cochrane Collaboration CEFUZONAM

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 CHEMBL1689069. 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 1.000
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.656
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.409
CHEMBL5031 Beta-lactamase Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) 0.323

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 1.000
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.985
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.979
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.623

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
513.6 513.0017 0.11 8 280.07 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 3 2 12 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.64 1.7 .19 -3.56 2 32 0.18

Structural Alerts

There are 13 structural alerts for CHEMBL1689069. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CXHKZHZLDMQGFF-ZSDSSEDPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1689069



ACToR 82219-78-1
ChEBI 55488
DrugCentral 3077
EPA CompTox Dashboard DTXSID8048282
FDA SRS 860MT00T7T
Nikkaji J22.041H
PubChem 6336505
PubChem: Thomson Pharma 15060649
SureChEMBL SCHEMBL149484
ZINC ZINC000004215275

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