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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL478120
CHEMBL478120
Compound Name MARBOFLOXACIN
ChEMBL Synonyms MARBOFLOXACIN
Max Phase 0
Trade Names
Molecular Formula C17H19FN4O4

Additional synonyms for CHEMBL478120 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4N(C)COc2c34)C(=O)O
Standard InChI InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16 ...
Download InChI
Standard InChI Key BPFYOAJNDMUVBL-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL478120

Molecule Features

CHEMBL478120 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 MARBOFLOXACIN
The Cochrane Collaboration MARBOFLOXACIN

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 CHEMBL478120. 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
CHEMBL1293267 G-protein coupled receptor 35 Homo sapiens 0.556
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.452

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
362.4 362.139 0.51 2 78.25 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.02 7.34 -.64 -2.59 2 26 0.83

Structural Alerts

There are 3 structural alerts for CHEMBL478120. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BPFYOAJNDMUVBL-UHFFFAOYSA-N
PubChem SID: 144205959 SID: 170465732 SID: 174006196 SID: 26660734 SID: 29218068
Wikipedia Marbofloxacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL478120



ACToR 115550-35-1
ChEBI 94723
ChemicalBook CB6125860
eMolecules 499368
EPA CompTox Dashboard DTXSID4046600
FDA SRS 8X09WU898T
IBM Patent System F06943F3E17D2215D4F0C32A41FA7FCA
LINCS LSM-5799
MolPort MolPort-006-069-356
Nikkaji J561.815K
PubChem 60651 1616426
PubChem: Thomson Pharma 14926021
Selleck Marbofloxacin
SureChEMBL SCHEMBL134860
ZINC ZINC000000537947

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