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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL222645
CHEMBL222645
Compound Name FLOXACILLIN
ChEMBL Synonyms STAFOXIL | LADROPEN | FLOXACILLIN | FLUCLOXACILLIN | FLUCLOXIN | FLOXAPEN | BRL 2039 | STAPHLIPEN | FLUCLOMIX-250 | FLUCLOMIX-500 | FLUCLOXACILLIN SODIUM | ABBOFLOX | ZOXIN 500 | ZOXIN 250 | RIMAFLOX | GALFLOXIN
Max Phase 4 (Approved)
Trade Names FLOXAPEN | FLUCLOXIN | STAFOXIL | LADROPEN | ABBOFLOX | FLUCLOMIX-250 | FLUCLOMIX-500 | GALFLOXIN | RIMAFLOX | ZOXIN 250 | ZOXIN 500 | STAPHLIPEN
Molecular Formula C19H17ClFN3O5S

Additional synonyms for CHEMBL222645 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c( ...
Download SMILES
Standard InChI InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(1 ...
Download InChI
Standard InChI Key UIOFUWFRIANQPC-JKIFEVAISA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL222645

Molecule Features

CHEMBL222645 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
InfectionD007239EFO:0000544infection1ClinicalTrials
Skin DiseasesD012871EFO:0000701skin disease3ClinicalTrials
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease1ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis2ClinicalTrials
Staphylococcal InfectionsD013203EFO:0005681Staphylococcus aureus infection3ClinicalTrials

Clinical Data

ClinicalTrials.gov FLOXACILLIN
The Cochrane Collaboration FLOXACILLIN

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
453.9 453.0561 2.69 4 112.74 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.44 - 2.89 -.84 2 30 0.68

Structural Alerts

There are 3 structural alerts for CHEMBL222645. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01C - BETA-LACTAM ANTIBACTERIALS, PENICILLINS
J01CF - Beta-lactamase resistant penicillins
J01CF05 - flucloxacillin

ChemSpider ChemSpider:UIOFUWFRIANQPC-JKIFEVAISA-N
Wikipedia Flucloxacillin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL222645



ACToR 5250-39-5
Atlas flucloxacillin
BindingDB 50370590
ChEBI 5098
DrugBank DB00301
DrugCentral 1183
EPA CompTox Dashboard DTXSID8023056
FDA SRS 43B2M34G2V
Human Metabolome Database HMDB0014446
IBM Patent System 4EAFB07D56E0167BCECCE79A20048B9E
KEGG Ligand C11748
Nikkaji J8.825K
PharmGKB PA164781042
PubChem 21319
PubChem: Thomson Pharma 14833460 15478401
SureChEMBL SCHEMBL3823
ZINC ZINC000004102187

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