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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2107636
CHEMBL2107636
Compound Name CEFAZEDONE
ChEMBL Synonyms CEFAZEDONE
Max Phase 0
Trade Names
Molecular Formula C18H15Cl2N5O5S3

Additional synonyms for CHEMBL2107636 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CN4C=C(Cl)C(=O)C(=C4)C ...
Download SMILES
Standard InChI InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-1 ...
Download InChI
Standard InChI Key VTLCNEGVSVJLDN-MLGOLLRUSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2107636

Molecule Features

CHEMBL2107636 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 CEFAZEDONE
The Cochrane Collaboration CEFAZEDONE

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 CHEMBL2107636. 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
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.979
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.675
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.509
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.497
CHEMBL2392 DNA polymerase beta Homo sapiens 0.462
CHEMBL5514 Huntingtin Homo sapiens 0.358



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.938
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.535
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.440
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.397
CHEMBL2392 DNA polymerase beta Homo sapiens 0.383

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
548.5 546.9612 1.85 7 134.49 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.61 - -.42 -4.13 2 33 0.39

Structural Alerts

There are 6 structural alerts for CHEMBL2107636. 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
J01DB - First-generation cephalosporins
J01DB06 - cefazedone

ChemSpider ChemSpider:VTLCNEGVSVJLDN-MLGOLLRUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2107636



ACToR 56187-47-4
ChEBI 131731
ChemicalBook CB7227198
DrugCentral 3071
eMolecules 31592230
EPA CompTox Dashboard DTXSID50204733
FDA SRS 7Y86X0D799
IBM Patent System 3642EAAE397D66B34C62B38F7EC91DD7
MolPort MolPort-046-423-260
Nikkaji J11.127I
PubChem 71736
PubChem: Drugs of the Future 22395230
PubChem: Thomson Pharma 15334739
SureChEMBL SCHEMBL49523
ZINC ZINC000001567521

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