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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1276342
CHEMBL1276342
Compound Name CEFMINOX
ChEMBL Synonyms CEFMINOX SODIUM | CEFMINOX
Max Phase 0
Trade Names
Molecular Formula C16H21N7O7S3

Additional synonyms for CHEMBL1276342 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@]1(NC(=O)CSC[C@@H](N)C(=O)O)[C@H]2SCC(=C(N2C1=O)C(=O)O) ...
Download SMILES
Standard InChI InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16 ...
Download InChI
Standard InChI Key JSDXOWVAHXDYCU-VXSYNFHWSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1276342

Molecule Features

CHEMBL1276342 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 CEFMINOX
The Cochrane Collaboration CEFMINOX

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 CHEMBL1276342. 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
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 1.000
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.905
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 0.731
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.685
CHEMBL5747 CREB-binding protein Homo sapiens 0.577
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.475
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.369
CHEMBL4016 Glutamate receptor ionotropic, AMPA 2 Homo sapiens 0.354



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3744 Glutamate receptor ionotropic kainate 3 Rattus norvegicus 1.000
CHEMBL4114 Beta-lactamase Staphylococcus aureus 0.999
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 0.999
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.998
CHEMBL3503 Glutamate receptor ionotropic, AMPA 2 Rattus norvegicus 0.975
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.658
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.585
CHEMBL3499 Beta-lactamase class C Enterobacter cloacae 0.534

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
519.6 519.0665 -1.84 11 202.86 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 4 2 14 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.05 8.58 -.68 -4.21 1 33 0.14

Structural Alerts

There are 8 structural alerts for CHEMBL1276342. 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
J01DC - Second-generation cephalosporins
J01DC12 - cefminox

ChemSpider ChemSpider:JSDXOWVAHXDYCU-VXSYNFHWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1276342



ACToR 84305-41-9 75481-73-1
ChEBI 135817
DrugBank DB09062
DrugCentral 540
eMolecules 30152456
FDA SRS PW08Y13465
Nikkaji J22.938E
PubChem 71141
PubChem: Thomson Pharma 14787208
SureChEMBL SCHEMBL49565
ZINC ZINC000003938624

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