Zabofloxacin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Zabofloxacin
DrugBank Accession Number
DB12479
Background

Zabofloxacin has been used in trials studying the treatment of Community Acquired Pneumonia and Chronic Obstructive Pulmonary Disease.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 401.398
Monoisotopic: 401.149932307
Chemical Formula
C19H20FN5O4
Synonyms
  • Zabofloxacin

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Naphthyridines
Direct Parent
Naphthyridine carboxylic acids and derivatives
Alternative Parents
Fluoroquinolones / Pyridinecarboxylic acids / Dialkylarylamines / Aminopyridines and derivatives / Aryl fluorides / Imidolactams / Vinylogous amides / Pyrrolidines / Heteroaromatic compounds / Amino acids
show 9 more
Substituents
Amine / Amino acid / Amino acid or derivatives / Aminopyridine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azetidine / Carboxylic acid
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
LV66BA6V2G
CAS number
219680-11-2
InChI Key
ZNPOCLHDJCAZAH-UHFFFAOYSA-N
InChI
InChI=1S/C19H20FN5O4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28)
IUPAC Name
1-cyclopropyl-6-fluoro-7-[8-(methoxyimino)-2,6-diazaspiro[3.4]octan-6-yl]-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
SMILES
CON=C1CN(CC11CNC1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=N1)C(O)=O

References

General References
Not Available
PubChem Compound
9952872
PubChem Substance
347828717
ChemSpider
34992165
Wikipedia
Zabofloxacin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)1
2TerminatedTreatmentCommunity Acquired Pneumonia (CAP)1
1CompletedHealth Services ResearchHealthy Volunteers (HV)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.196 mg/mLALOGPS
logP-0.89ALOGPS
logP-0.89Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)5.53Chemaxon
pKa (Strongest Basic)9.41Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area107.36 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity102.53 m3·mol-1Chemaxon
Polarizability40.29 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-0005900000-5c88119ce08a96509090
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f79-0009500000-8537907e793dd53fc187
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009100000-89e6cdd014eb16e10a79
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-114i-0009200000-91a1abca6c4fccb4884a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0089-1109100000-19a077afedab2c585c2c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0j4i-0009000000-f325fcdc80e3d8a79736
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-189.67769
predicted
DeepCCS 1.0 (2019)
[M+H]+192.0357
predicted
DeepCCS 1.0 (2019)
[M+Na]+198.5755
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:32 / Updated at February 21, 2021 18:53