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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6273
CHEMBL6273
Compound Name FLEROXACIN
ChEMBL Synonyms MEGALONE | AM-833 | RO 23-6240/000 | FLEROXACIN | Ro-236240
Max Phase 0
Trade Names
Molecular Formula C17H18F3N3O3

Additional synonyms for CHEMBL6273 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O
Standard InChI InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(1 ...
Download InChI
Standard InChI Key XBJBPGROQZJDOJ-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL6273

Molecule Features

CHEMBL6273 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov FLEROXACIN
The Cochrane Collaboration FLEROXACIN

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 CHEMBL6273. 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
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.386

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
369.3 369.13 1.7 4 65.78 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.54 7.15 1.84 -.27 2 26 0.89

Structural Alerts

There are 5 structural alerts for CHEMBL6273. 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
J01MA08 - fleroxacin

ChemSpider ChemSpider:XBJBPGROQZJDOJ-UHFFFAOYSA-N
PubChem SID: 144206106 SID: 170466056 SID: 26719809 SID: 50112812
Wikipedia Fleroxacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6273



ACToR 79660-72-3 79660-53-0
ChEBI 31810
DrugBank DB04576
DrugCentral 1177
eMolecules 499151
EPA CompTox Dashboard DTXSID1046714
FDA SRS N804LDH51K
IBM Patent System 43334744D54DC916A84AE0279E983352
KEGG Ligand C13179
LINCS LSM-6633
MolPort MolPort-003-847-381
Nikkaji J23.768J
PubChem 40466912 3357
PubChem: Drugs of the Future 12012704
PubChem: Thomson Pharma 14877300
Selleck Fleroxacin(Quinodis)
SureChEMBL SCHEMBL48145
ZINC ZINC000003786299

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