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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15511
CHEMBL15511
Compound Name ENROFLOXACIN
ChEMBL Synonyms ENROFLOXACIN | BAY VP 2674 | BAYTRIL
Max Phase 0
Trade Names
Molecular Formula C19H22FN3O3

Additional synonyms for CHEMBL15511 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4
Standard InChI InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15( ...
Download InChI
Standard InChI Key SPFYMRJSYKOXGV-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL15511

Molecule Features

CHEMBL15511 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 ENROFLOXACIN
The Cochrane Collaboration ENROFLOXACIN

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 CHEMBL15511. 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
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.270

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
359.4 359.1645 2.32 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
6.43 7.75 2.31 1.08 2 26 0.91

Structural Alerts

There are 2 structural alerts for CHEMBL15511. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SPFYMRJSYKOXGV-UHFFFAOYSA-N
PubChem SID: 104171364 SID: 144204382 SID: 170465572 SID: 26746921 SID: 50100858 SID: 56422205 SID: 855596
Wikipedia Enrofloxacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15511



ACToR 93106-60-6
ChEBI 35720
ChemicalBook CB8310192
eMolecules 485826
EPA CompTox Dashboard DTXSID1045619
FDA SRS 3DX3XEK1BN
Human Metabolome Database HMDB0029861
IBM Patent System 1CEE52B484B9D665B74B64015717E11B
LINCS LSM-3709
Mcule MCULE-6446074322
MolPort MolPort-001-738-732
NIH Clinical Collection SAM001246856
Nikkaji J33.104J
PubChem 6957639 71188
PubChem: Drugs of the Future 12013765
PubChem: Thomson Pharma 14803357
Selleck enrofloxacin
SureChEMBL SCHEMBL149150
ZINC ZINC000000597112

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