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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL277100
CHEMBL277100
Compound Name TEMAFLOXACIN
ChEMBL Synonyms ABBOTT-62254 | TEMAFLOXACIN HYDROCHLORIDE | OMNIFIOX | TEMAFLOXACIN | Omniflox
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names OMNIFIOX
Molecular Formula C21H18F3N3O3

Additional synonyms for CHEMBL277100 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1CN(CCN1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F
Standard InChI InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(1 ...
Download InChI
Standard InChI Key QKDHBVNJCZBTMR-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification
  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL277100

Molecule Features

CHEMBL277100 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year 1992
Country United States; United Kingdom; Germany
Reason Low blood sugar; hemolytic anemia; kidney, liver dysfunction; allergic reactions

Clinical Data

ClinicalTrials.gov TEMAFLOXACIN
The Cochrane Collaboration TEMAFLOXACIN

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 CHEMBL277100. 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
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.619

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
417.4 417.13 0.62 3 72.88 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.02 8.74 1.28 -.88 2 30 0.71

Structural Alerts

There are 2 structural alerts for CHEMBL277100. 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
J01MA05 - temafloxacin

ChemSpider ChemSpider:QKDHBVNJCZBTMR-UHFFFAOYSA-N
PubChem SID: 144206857
Wikipedia Temafloxacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL277100



ACToR 108319-06-8
ChEBI 77796
DrugBank DB01405
DrugCentral 2584
EPA CompTox Dashboard DTXSID7044132
IBM Patent System 5D2462ED4E195D6F059B630673CB146D
MolPort MolPort-006-169-987
Nikkaji J345.988H
PubChem 60021
PubChem: Thomson Pharma 14831465
SureChEMBL SCHEMBL48095

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