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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL482858
CHEMBL482858
Compound Name CEPHALOSPORIN C
ChEMBL Synonyms CEPHALOSPORIN C | Cephalosporin C Zinc Salt
Max Phase 0
Trade Names
Molecular Formula C16H21N3O8S

Additional synonyms for CHEMBL482858 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C2=O ...
Download SMILES
Standard InChI InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)1 ...
Download InChI
Standard InChI Key HOKIDJSKDBPKTQ-GLXFQSAKSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL482858

Molecule Features

CHEMBL482858 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 CEPHALOSPORIN C
The Cochrane Collaboration CEPHALOSPORIN C

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
415.4 415.1049 -4.04 10 201.63 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 4 0 11 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.49 9.62 -1.47 -4.98 0 28 0.2

Structural Alerts

There are 9 structural alerts for CHEMBL482858. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HOKIDJSKDBPKTQ-GLXFQSAKSA-N
PubChem SID: 90341458
Wikipedia Cephalosporin_C

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL482858



ACToR 39879-21-5
Brenda 478
ChEBI 15776
DrugBank DB03313
eMolecules 28290844
FDA SRS 3XIY7HJT5L
Human Metabolome Database HMDB0060450
IBM Patent System 56B02CD877562B21F8141778F7D525AB
KEGG Ligand C00916
Metabolights MTBLC15776
Nikkaji J4.815A
PubChem 65536
PubChem: Thomson Pharma 16162020 16502999
SureChEMBL SCHEMBL76583
ZINC ZINC000003977881

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