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<compound>
  <id type="integer">3534</id>
  <title>T3D3492</title>
  <common-name>Cephalosporin </common-name>
  <description>Cephalosporin is an exogenous organic compound with the formula C15H14N4O6S2 and an average molecular weight of 410.43 g/mol. It exists as a solid at room temperature. Cephalosporin belongs to the beta lactams, a subclass of lactams within the organic compounds.

This compound is recorded as being released from five sources, including healthcare, pharmaceuticals and veterinary products specifically as beta-lactam antibacterials, household cleaning and consumer products such as other smoking requisites, and electrical and electronic equipment including antennas, video games, and communication cables or conductors. The recorded route of exposure is oral.

Cephalosporin interacts with five protein targets. It acts as an inhibitor of Penicillin-binding protein 1A (mrcA), Penicillin-binding protein 1B (mrcB), Peptidoglycan D,D-transpeptidase FtsI (ftsI), and Peptidoglycan D,D-transpeptidase MrdA (mrdA). Additionally, Cephalosporin targets Solute carrier family 15 member 1 (SLC15A1). In the case of Ceftibuten, bactericidal action is exerted by binding to essential target proteins of the bacterial cell wall, which leads to the inhibition of cell-wall synthesis.</description>
  <cas>97519-39-6</cas>
  <pubchem-id>5282242</pubchem-id>
  <chemical-formula>C15H14N4O6S2</chemical-formula>
  <weight></weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Rapidly absorbed following oral administration.</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Ceftibuten exerts its bactericidal action by binding to essential target proteins of the bacterial cell wall. This binding leads to inhibition of cell-wall synthesis.</mechanism-of-toxicity>
  <metabolism>A study with radiolabeled ceftibuten administered to 6 healthy adult male volunteers demonstrated that cis-ceftibuten is the predominant component in both plasma and urine. About 10% of ceftibuten is converted to the trans-isomer is approximately 1/8 as antimicrobially potent as the cis-isomer.Route of Elimination: Ceftibuten is excreted in the urine; 95% of the administered radioactivity was recovered either in urine or feces.</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Used to treat acute bacterial exacerbations of chronic bronchitis (ABECB), acute bacterial otitis media, pharyngitis, and tonsilitis. It is also indicated for pneumonia, infections of the urinary tract, enteritis and gastroenteritis. [Wikipedia]</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms>Overdosage of cephalosporins can cause cerebral irritation leading to convulsions.</symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-07-30T17:58:46Z</created-at>
  <updated-at type="dateTime">2026-05-14T17:00:14Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Ceftibuten</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C08117</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>3510</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Cephalosporin </stitch-id>
  <drugbank-id>DB01415</drugbank-id>
  <pdb-id></pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\C1=CSC(N)=N1)C(O)=O</moldb-smiles>
  <moldb-formula>C15H14N4O6S2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1</moldb-inchi>
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  <moldb-average-mass type="decimal">410.425</moldb-average-mass>
  <moldb-mono-mass type="decimal">410.03547558</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>-1.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1605</chembl-id>
  <chemspider-id>4445418</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002509</chemdb-id>
  <dsstox-id>DTXSID4045925</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00079152</susdat-id>
  <iupac>(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</iupac>
  <moldb-polar-surface-area>162.92</moldb-polar-surface-area>
  <moldb-refractivity>97.02379999999998</moldb-refractivity>
  <moldb-polarizability>38.4976253702732</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>8</moldb-acceptor-count>
  <moldb-donor-count>4</moldb-donor-count>
  <moldb-pka-strongest-acidic>2.98685022221115</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>4.686058579408637</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-2</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>0.31</moldb-alogps-logp>
  <moldb-alogps-logs>-3.77</moldb-alogps-logs>
  <moldb-alogps-solubility>7.05e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Lactams</klass>
  <subklass>Beta lactams</subklass>
  <paper-count type="integer">14157</paper-count>
  <sync-id>CED0001027</sync-id>
  <structure-inchikey>UNJFKXSSGBWRBZ-BJCIPQKHSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:00:47Z</structure-indexed-at>
</compound>
