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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL466
CHEMBL466
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H16N4O8S

Additional synonyms for CHEMBL466 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)COC(=O)N)/c3o ...
Download SMILES
Standard InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13( ...
Download InChI
Standard InChI Key JFPVXVDWJQMJEE-SWWZKJRFSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL466

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
424.4 424.0689 -0.54 7 173.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 0 12 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.59 - .26 -3.48 1 29 0.3

Structural Alerts

There are 12 structural alerts for CHEMBL466. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JFPVXVDWJQMJEE-SWWZKJRFSA-N
PubChem SID: 17389546
Wikipedia Cefuroxime

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL466



BindingDB 50350472
Brenda 818
PharmGKB PA448868
PubChem 5361202
PubChem: Thomson Pharma 15427650
SureChEMBL SCHEMBL40413
ZINC ZINC000003830485

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