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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2103764
CHEMBL2103764
Compound Name CEFETAMET
ChEMBL Synonyms CEFETAMET PIVOXIL HYDROCHLORIDE | CEFETAMET
Max Phase 0
Trade Names
Molecular Formula C14H15N5O5S2

Additional synonyms for CHEMBL2103764 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)\c3csc(N)n3
Standard InChI InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)2 ...
Download InChI
Standard InChI Key MQLRYUCJDNBWMV-GHXIOONMSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2103764

Molecule Features

CHEMBL2103764 compound icon
Drug Type:Natural Product-derived Rule of Five:Y 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 CEFETAMET
The Cochrane Collaboration CEFETAMET

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 CHEMBL2103764. 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
CHEMBL2725 Beta-lactamase Enterobacter cloacae 1.000
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.218

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.999
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.926
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.913

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
397.4 397.0515 -0.17 5 147.21 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 0 10 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.11 1.7 -.24 -3.92 1 26 0.35

Structural Alerts

There are 13 structural alerts for CHEMBL2103764. 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
J01DD10 - cefetamet

ChemSpider ChemSpider:MQLRYUCJDNBWMV-GHXIOONMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2103764



ACToR 65052-63-3
ChEBI 135629
DrugCentral 3074
eMolecules 10480083
FDA SRS 4R5TV783X3
Nikkaji J23.711F
PubChem 5487888
SureChEMBL SCHEMBL65620
ZINC ZINC000004215237

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