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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2074822
CHEMBL2074822
Compound Name CEFLUPRENAM
ChEMBL Synonyms CEFLUPRENAM
Max Phase 0
Trade Names
Molecular Formula C20H25FN8O6S2

Additional synonyms for CHEMBL2074822 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[N+](C)(C\C=C\C1=C(N2[C@H](SC1)[C@H](NC(=O)\C(=N/OCF)\c3ns ...
Download SMILES
Standard InChI InChI=1S/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18 ...
Download InChI
Standard InChI Key XAKKNLNAJBNLPC-MAYKBZFQSA-N

Sources

  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2074822

Molecule Features

CHEMBL2074822 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CEFLUPRENAM
The Cochrane Collaboration CEFLUPRENAM

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
556.6 556.1323 -4.08 12 259.56 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 3 2 14 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.55 - -4.73 -4.39 1 37 0.1

Structural Alerts

There are 17 structural alerts for CHEMBL2074822. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XAKKNLNAJBNLPC-MAYKBZFQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2074822



ACToR 116853-25-9
ChEBI 3488
PubChem 6536774
PubChem: Drugs of the Future 12014234
PubChem: Thomson Pharma 14886201 15260524
SureChEMBL SCHEMBL75058

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