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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL215303
CHEMBL215303
Compound Name GARENOXACIN
ChEMBL Synonyms BMS-284756-01 | GARENOXACIN MESYLATE | GARENOXACIN | T-3811ME
Max Phase 0
Trade Names
Molecular Formula C23H20F2N2O4

Additional synonyms for CHEMBL215303 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1NCc2cc(ccc12)c3ccc4C(=O)C(=CN(C5CC5)c4c3OC(F)F)C(=O)O
Standard InChI InChI=1S/C23H20F2N2O4/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7 ...
Download InChI
Standard InChI Key NJDRXTDGYFKORP-LLVKDONJSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL215303

Molecule Features

CHEMBL215303 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 GARENOXACIN
The Cochrane Collaboration GARENOXACIN

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 CHEMBL215303. 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 0.994

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
426.4 426.1391 4.47 5 80.56 ZWITTERION


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
6.44 8.76 1.6 -.56 3 31 0.63

Structural Alerts

There are 2 structural alerts for CHEMBL215303. 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
J01MA19 - garenoxacin

ChemSpider ChemSpider:NJDRXTDGYFKORP-LLVKDONJSA-N
PubChem SID: 50126319

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL215303



ACToR 194804-75-6
ChEBI 131716
ChemicalBook CB01504008
DrugBank DB06160
DrugCentral 4053
eMolecules 29936020
EPA CompTox Dashboard DTXSID30173135
FDA SRS V72H9867WB
IBM Patent System 19BCE20B1991FADBF5E0EF8AC15AE5E7
MolPort MolPort-021-804-957
Nikkaji J1.099.977D
PubChem 124093 40461170
PubChem: Thomson Pharma 14782848 14929713
SureChEMBL SCHEMBL2103727
ZINC ZINC000003585048

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