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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201224
CHEMBL1201224
Compound Name CEFMENOXIME
ChEMBL Synonyms CEFMENOXIME HYDROCHLORIDE | Tacef | CEFMENOXIME | SCE-1365 (TAKEDA) (BASE) | ABBOTT-50192 (HCL) | CEFMAX
Max Phase 4 (Approved)
Trade Names CEFMAX | Tacef
Molecular Formula C16H17N9O5S3

Additional synonyms for CHEMBL1201224 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)CSc3nnnn3C)\c ...
Download SMILES
Standard InChI InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9( ...
Download InChI
Standard InChI Key HJJDBAOLQAWBMH-YCRCPZNHSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1201224

Molecule Features

CHEMBL1201224 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov CEFMENOXIME
The Cochrane Collaboration CEFMENOXIME

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 CHEMBL1201224. 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
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.918
CHEMBL5031 Beta-lactamase Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) 0.847
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.803
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.732
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.587
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.459



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.965
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.640
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.584
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.578
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.283
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.247

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
511.6 511.0515 -0.87 8 190.81 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 3 2 14 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.61 1.7 -.91 -4.66 2 33 0.17

Structural Alerts

There are 13 structural alerts for CHEMBL1201224. 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
J01DD - Third-generation cephalosporins
J01DD05 - cefmenoxime

ChemSpider ChemSpider:HJJDBAOLQAWBMH-YCRCPZNHSA-N
Wikipedia Cefmenoxime

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201224



ACToR 65085-01-0
ChEBI 55490
DrugBank DB00267
DrugCentral 538
EPA CompTox Dashboard DTXSID2022755
FDA SRS KBZ4844CXN
Human Metabolome Database HMDB0014412
Nikkaji J19.799H
PubChem 9570757
PubChem: Thomson Pharma 96076158
SureChEMBL SCHEMBL152861
ZINC ZINC000003830413

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