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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106076
CHEMBL2106076
Compound Name CEFPIROME SULFATE
ChEMBL Synonyms HR 810 SULFATE | CEFROM | CEFPIROME SULFATE
Max Phase 4 (Approved)
Trade Names CEFROM
Molecular Formula C22H24N6O9S3

Additional synonyms for CHEMBL2106076 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-])C[n+]3cccc ...
Download SMILES
Standard InChI InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13 ...
Download InChI
Standard InChI Key RKTNPKZEPLCLSF-QHBKFCFHSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106076

Molecule Features

CHEMBL2106076 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov CEFPIROME SULFATE
The Cochrane Collaboration CEFPIROME SULFATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2106076. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.844
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.778

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
514.6 514.1093 -1.04 7 153.92 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 2 1 11 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.43 1.7 -2.08 -1.53 2 35 0.21

Structural Alerts

There are 16 structural alerts for CHEMBL2106076. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RKTNPKZEPLCLSF-QHBKFCFHSA-N
PubChem SID: 144206351

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106076



ACToR 98753-19-6
ChEBI 31378
ChemicalBook CB9262629
EPA CompTox Dashboard DTXSID8046909
FDA SRS BA5ALU2ZT9
MolPort MolPort-023-332-329 MolPort-003-987-502
PubChem 11954008 9960551
PubChem: Thomson Pharma 126491708 49738814
SureChEMBL SCHEMBL194241

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