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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL370252
CHEMBL370252
Compound Name FLUMEQUINE
ChEMBL Synonyms FLUMEQUINE
Max Phase 0
Trade Names
Molecular Formula C14H12FNO3

Additional synonyms for CHEMBL370252 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1CCc2cc(F)cc3C(=O)C(=CN1c23)C(=O)O
Standard InChI InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13 ...
Download InChI
Standard InChI Key DPSPPJIUMHPXMA-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


CHEMBL370252

Molecule Features

CHEMBL370252 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 FLUMEQUINE
The Cochrane Collaboration FLUMEQUINE

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
261.3 261.0801 2.35 1 59.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.7 - .88 -1.39 2 19 0.86

Structural Alerts

There are 2 structural alerts for CHEMBL370252. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01M - QUINOLONE ANTIBACTERIALS
J01MB - Other quinolones
J01MB07 - flumequine

ChemSpider ChemSpider:DPSPPJIUMHPXMA-UHFFFAOYSA-N
PubChem SID: 104171372 SID: 144204391 SID: 170466145 SID: 26747215 SID: 56423139 SID: 856003

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL370252



ACToR 42835-25-6 143984-63-8
ChEBI 85269
ChemicalBook CB1264632
DrugBank DB08972
DrugCentral 1197
eMolecules 474312
EPA CompTox Dashboard DTXSID5045623
Human Metabolome Database HMDB0041895
IBM Patent System F2E32B3D57FEBA5F0ED97315F70514FD
LINCS LSM-5129
Mcule MCULE-1576355150
MolPort MolPort-003-666-337
Nikkaji J16.025C
PubChem 3374
PubChem: Thomson Pharma 14996210
Selleck flumequine
SureChEMBL SCHEMBL49829

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