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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1276663
CHEMBL1276663
Compound Name CEFOZOPRAN
ChEMBL Synonyms CEFOZOPRAN
Max Phase 0
Trade Names
Molecular Formula C19H17N9O5S2

Additional synonyms for CHEMBL1276663 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-])C[n+]3ccn4 ...
Download SMILES
Standard InChI InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29 ...
Download InChI
Standard InChI Key QDUIJCOKQCCXQY-WHJQOFBOSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1276663

Molecule Features

CHEMBL1276663 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 CEFOZOPRAN
The Cochrane Collaboration CEFOZOPRAN

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 CHEMBL1276663. 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 0.935

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
515.5 515.0794 -2.49 7 184.11 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 2 2 14 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.26 - -4.33 -3.84 3 35 0.15

Structural Alerts

There are 14 structural alerts for CHEMBL1276663. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01D - OTHER BETA-LACTAM ANTIBACTERIALS
J01DE - Fourth-generation cephalosporins
J01DE03 - cefozopran

ChemSpider ChemSpider:QDUIJCOKQCCXQY-WHJQOFBOSA-N
Wikipedia Cefozopran

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1276663



ACToR 113359-04-9
ChEBI 3502
ChemicalBook CB2198495
DrugBank DB13667
DrugCentral 551
FDA SRS 1LG87K28LW
KEGG Ligand C11203
MolPort MolPort-046-418-573
Nikkaji J404.780J
PubChem 9571080
PubChem: Thomson Pharma 14787073 103022332 14986586
SureChEMBL SCHEMBL49106

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