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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL273348
CHEMBL273348
Compound Name TOSUFLOXACIN
ChEMBL Synonyms ABBOTT-61827 | TOSUFLOXACIN TOSILATE | Ozex | TOSUFLOXACIN
Max Phase 0
Trade Names
Molecular Formula C19H15F3N4O3

Additional synonyms for CHEMBL273348 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1CCN(C1)c2nc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F
Standard InChI InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)2 ...
Download InChI
Standard InChI Key WUWFMDMBOJLQIV-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL273348

Molecule Features

CHEMBL273348 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 TOSUFLOXACIN
The Cochrane Collaboration TOSUFLOXACIN

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 CHEMBL273348. 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.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.431

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.843
CHEMBL4600 Serine/threonine-protein kinase PAK 1 Homo sapiens 0.256

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
404.4 404.1096 2.04 3 101.45 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.79 8.76 1.01 -1.27 3 29 0.69

Structural Alerts

There are 2 structural alerts for CHEMBL273348. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WUWFMDMBOJLQIV-UHFFFAOYSA-N
PubChem SID: 124893342 SID: 50112789
Wikipedia Tosufloxacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL273348



ACToR 100490-36-6 108138-46-1
ChEBI 77581
DrugCentral 2710
eMolecules 902607
EPA CompTox Dashboard DTXSID2044135
IBM Patent System B96FDF20AE3C2C7EA0270361E4D4E82D
LINCS LSM-5050
Nikkaji J243.072J
PubChem 5517
PubChem: Thomson Pharma 14903855
SureChEMBL SCHEMBL34354

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