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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

Molecule Features

CHEMBL482858 compound icon
Drug Type:Natural Product 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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL482858

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 BASE


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
- 9.6 5.41 3.26 0 28 0.2

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
ChEBI 15776
eMolecules 28290844
FDA SRS 3XIY7HJT5L
Human Metabolome Database HMDB60450
IBM Patent System 56B02CD877562B21F8141778F7D525AB
KEGG Ligand C00916
Nikkaji J4.815A
PubChem 65536
PubChem: Thomson Pharma 16162020 16502999
SureChEMBL SCHEMBL76583

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