ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1672
CHEMBL1672
Compound Name CEFPODOXIME
ChEMBL Synonyms Cefpodoxime
Max Phase 0
Trade Names
Molecular Formula C15H17N5O6S2

Additional synonyms for CHEMBL1672 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCC1=C(N2[C@H](SC1)[C@H](NC(=O)\C(=N/OC)\c3csc(N)n3)C2=O)C( ...
Download SMILES
Standard InChI InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)1 ...
Download InChI
Standard InChI Key WYUSVOMTXWRGEK-HBWVYFAYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1672

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
427.5 427.062 -0.54 7 156.44 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 3 0 11 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.77 1.7 .38 -3.36 1 28 0.3

Structural Alerts

There are 13 structural alerts for CHEMBL1672. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WYUSVOMTXWRGEK-HBWVYFAYSA-N
Wikipedia Cefpodoxime

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1672



ACToR 80210-62-4
BindingDB 50292251
Brenda 25528
ChEBI 3504
ChemicalBook CB9511604
DrugBank DB01416
EPA CompTox Dashboard DTXSID6022765
FDA SRS 7R4F94TVGY
Human Metabolome Database HMDB0015486
KEGG Ligand C08114
MolPort MolPort-003-845-691
Nikkaji J126.228I
PharmGKB PA164746385
PubChem 6335986
PubChem: Thomson Pharma 14880676 14832042
SureChEMBL SCHEMBL27072
ZINC ZINC000003830453

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