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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL422648
CHEMBL422648
Compound Name PRULIFLOXACIN
ChEMBL Synonyms PRULIFLOXACIN
Max Phase 3
Trade Names
Molecular Formula C21H20FN3O6S

Additional synonyms for CHEMBL422648 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1SC2=C(C(=O)O)C(=O)c3cc(F)c(cc3N12)N4CCN(CC5=C(C)OC(=O)O5) ...
Download SMILES
Standard InChI InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6- ...
Download InChI
Standard InChI Key PWNMXPDKBYZCOO-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL422648

Molecule Features

CHEMBL422648 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture 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
GastroenteritisD005759EFO:1001463gastroenteritis3ClinicalTrials
Bronchitis, ChronicD029481EFO:0006505chronic bronchitis3ClinicalTrials
ProstatitisD011472EFO:0003830prostatitis2ClinicalTrials
Urinary Tract InfectionsD014552EFO:0003103urinary tract infection3ClinicalTrials

Clinical Data

ClinicalTrials.gov PRULIFLOXACIN
The Cochrane Collaboration PRULIFLOXACIN

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 CHEMBL422648. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4088 Topoisomerase IV subunit A Staphylococcus aureus 0.237

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
461.5 461.1057 2.64 4 109.13 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 1 0 9 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.85 6.25 2.56 1.06 3 32 0.63

Structural Alerts

There are 3 structural alerts for CHEMBL422648. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01M - QUINOLONE ANTIBACTERIALS
J01MA - Fluoroquinolones
J01MA17 - prulifloxacin

ChemSpider ChemSpider:PWNMXPDKBYZCOO-UHFFFAOYSA-N
PubChem SID: 144205788 SID: 170465849 SID: 26758037

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL422648



ACToR 123447-62-1
ChEBI 32071
ChemicalBook CB5474525
DrugBank DB11892
DrugCentral 2325
eMolecules 2728656 31789621
EPA CompTox Dashboard DTXSID0046480
IBM Patent System C528404E6302A026CC94CF2A22088A17
Mcule MCULE-8435182996
MolPort MolPort-001-738-686 MolPort-000-755-655
Nikkaji J561.792H
PubChem 4916641 65947
PubChem: Drugs of the Future 12014388
PubChem: Thomson Pharma 14833860
SureChEMBL SCHEMBL1650794

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