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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2103872
CHEMBL2103872
Compound Name CEFTOLOZANE
ChEMBL Synonyms CXA-101 | CEFTOLOZANE | CEFTOLOZANE SULFATE | FR264205 | FR-264205 | CXA-101 (FOR SULFATE)
Max Phase 4 (Approved)
Trade Names
Molecular Formula C23H30N12O8S2

Additional synonyms for CHEMBL2103872 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1c(N)c(NC(=O)NCCN)c[n+]1CC2=C(N3[C@H](SC2)[C@H](NC(=O)\C(= ...
Download SMILES
Standard InChI InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26 ...
Download InChI
Standard InChI Key JHFNIHVVXRKLEF-DCZLAGFPSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2103872

Molecule Features

CHEMBL2103872 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial penicillin-binding protein inhibitor Bacterial penicillin-binding protein FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Intraabdominal InfectionsD0594134DailyMed
PneumoniaD011014EFO:0003106pneumonia3ClinicalTrials
InfectionD007239EFO:0000544infection3ClinicalTrials
Urinary Tract InfectionsD014552EFO:0003103urinary tract infection4DailyMed
ClinicalTrials

Clinical Data

ClinicalTrials.gov CEFTOLOZANE
The Cochrane Collaboration CEFTOLOZANE

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
666.7 666.1751 -3.9 12 302.21 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 7 3 20 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.71 7.95 -6.56 -5.07 2 45 0.05

Structural Alerts

There are 13 structural alerts for CHEMBL2103872. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JHFNIHVVXRKLEF-DCZLAGFPSA-N
DailyMed ceftolozane sulfate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2103872



ChEBI 134719
DrugBank DB09050
FDA SRS 37A4IES95Q
PubChem 71457955 53234134
PubChem: Thomson Pharma 124342955
SureChEMBL SCHEMBL14663407

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