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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15413
CHEMBL15413
Compound Name FLOMOXEF
ChEMBL Synonyms FLOMOXEF SODIUM | Flomoxef
Max Phase 3
Trade Names
Molecular Formula C15H18F2N6O7S2

Additional synonyms for CHEMBL15413 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@]1(NC(=O)CSC(F)F)[C@H]2OCC(=C(N2C1=O)C(=O)O)CSc3nnnn3CC ...
Download SMILES
Standard InChI InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28 ...
Download InChI
Standard InChI Key UHRBTBZOWWGKMK-DOMZBBRYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL15413

Molecule Features

CHEMBL15413 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Urinary Tract InfectionsD014552EFO:0003103urinary tract infection3ClinicalTrials

Clinical Data

ClinicalTrials.gov FLOMOXEF
The Cochrane Collaboration FLOMOXEF

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 CHEMBL15413. 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
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.892
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.694
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.330

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.603
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.587

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
496.5 496.0646 -1.29 11 169 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 3 1 13 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.25 .3 -2.43 -6.03 1 32 0.19

Structural Alerts

There are 6 structural alerts for CHEMBL15413. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01D - OTHER BETA-LACTAM ANTIBACTERIALS
J01DC - Second-generation cephalosporins
J01DC14 - flomoxef

ChemSpider ChemSpider:UHRBTBZOWWGKMK-DOMZBBRYSA-N
Wikipedia Flomoxef

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15413



ACToR 99665-00-6 112245-72-4
ChEBI 135813
ChemicalBook CB0328847
DrugBank DB11935
DrugCentral 1179
FDA SRS V9E5U5XF42
Nikkaji J37.274I
PubChem 65864
PubChem: Thomson Pharma 15357232
SureChEMBL SCHEMBL49438
ZINC ZINC000003874302

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