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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL295433
CHEMBL295433
Compound Name ORBIFLOXACIN
ChEMBL Synonyms Orbifloxacin | ORBAX
Max Phase 0
Trade Names
Molecular Formula C19H20F3N3O3

Additional synonyms for CHEMBL295433 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(F)c3C(=O)C(=CN(C4CC4)c3c2F)C( ...
Download SMILES
Standard InChI InChI=1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12 ...
Download InChI
Standard InChI Key QIPQASLPWJVQMH-DTORHVGOSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL295433

Molecule Features

CHEMBL295433 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ORBIFLOXACIN
The Cochrane Collaboration ORBIFLOXACIN

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 CHEMBL295433. 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
395.4 395.1457 2.64 3 74.57 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.36 8.48 2.97 1.17 2 28 0.78

Structural Alerts

There are 3 structural alerts for CHEMBL295433. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QIPQASLPWJVQMH-DTORHVGOSA-N
PubChem SID: 144205420 SID: 170465644 SID: 29216200 SID: 29216201 SID: 49647788
Wikipedia Orbifloxacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL295433



ACToR 113617-63-3
eMolecules 499370
EPA CompTox Dashboard DTXSID7046201
FDA SRS 660932TPY6
IBM Patent System A1C20E9261CF5D7F4AC01905026696BE
Mcule MCULE-1346410415
MolPort MolPort-001-738-728
Nikkaji J323.323E
PubChem 7061800 60605
PubChem: Thomson Pharma 14830202
Selleck orbifloxacin
SureChEMBL SCHEMBL125116
ZINC ZINC000003882891

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