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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1095930
CHEMBL1095930
Compound Name CEFUROXIME AXETIL
ChEMBL Synonyms CEFUROXIME AXETIL | CCI 15641 | CEFTIN | ZINNAT
Max Phase 4 (Approved)
Trade Names CEFTIN | ZINNAT | CEFUROXIME AXETIL
Molecular Formula C20H22N4O10S

Additional synonyms for CHEMBL1095930 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)OC(C)OC(=O)C)CO ...
Download SMILES
Standard InChI InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20 ...
Download InChI
Standard InChI Key KEJCWVGMRLCZQQ-YJBYXUATSA-N

Sources

  • British National Formulary
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1095930

Molecule Features

CHEMBL1095930 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial penicillin-binding protein inhibitor Bacterial penicillin-binding protein DailyMed KEGG PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
SinusitisD012852EFO:0007486sinusitis2ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials

Clinical Data

ClinicalTrials.gov CEFUROXIME AXETIL
The Cochrane Collaboration CEFUROXIME AXETIL

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 CHEMBL1095930. 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 0.992
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.866
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.834
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.221

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.791
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.388
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.379

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
510.5 510.1057 -0.17 9 189.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 2 2 14 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.3 - 1.93 1.88 1 35 0.15

Structural Alerts

There are 18 structural alerts for CHEMBL1095930. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KEJCWVGMRLCZQQ-YJBYXUATSA-N
DailyMed cefuroxime axetil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1095930



ChEBI 3516
DrugCentral 566
KEGG Ligand C08107
MolPort MolPort-005-935-571
Nikkaji J111.110H
PubChem 6321416
PubChem: Drugs of the Future 12012940
PubChem: Thomson Pharma 14909252 14835999
SureChEMBL SCHEMBL721709

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