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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1210954
CHEMBL1210954
Compound Name BALOFLOXACIN
ChEMBL Synonyms BALOFLOXACIN
Max Phase 0
Trade Names
Molecular Formula C20H24FN3O4

Additional synonyms for CHEMBL1210954 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC1CCCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2OC)C(=O)O
Standard InChI InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16 ...
Download InChI
Standard InChI Key MGQLHRYJBWGORO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1210954

Molecule Features

CHEMBL1210954 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

Clinical Data

ClinicalTrials.gov BALOFLOXACIN
The Cochrane Collaboration BALOFLOXACIN

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 CHEMBL1210954. 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 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
389.4 389.1751 2.37 5 83.8 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.44 9.88 2.92 .45 2 28 0.82

Structural Alerts

There are 2 structural alerts for CHEMBL1210954. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MGQLHRYJBWGORO-UHFFFAOYSA-N
PubChem SID: 144206082 SID: 170465911 SID: 50112785
Wikipedia Balofloxacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1210954



ACToR 127294-70-6
ChemicalBook CB0728838
DrugCentral 283
eMolecules 10228242
EPA CompTox Dashboard DTXSID5046695
IBM Patent System AF2347985EAE98438E7BE3A75DF5F159
MolPort MolPort-003-986-347
Nikkaji J501.164G
PubChem 65958
PubChem: Thomson Pharma 14878477
Selleck balofloxacin
SureChEMBL SCHEMBL134163

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