Zabofloxacin
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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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 9952872
- PubChem Substance
- 347828717
- ChemSpider
- 34992165
- Wikipedia
- Zabofloxacin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Chronic Obstructive Pulmonary Disease (COPD) 1 2 Terminated Treatment Community Acquired Pneumonia (CAP) 1 1 Completed Health Services Research Healthy 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
Property Value Source Water Solubility 0.196 mg/mL ALOGPS logP -0.89 ALOGPS logP -0.89 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 5.53 Chemaxon pKa (Strongest Basic) 9.41 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 107.36 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 102.53 m3·mol-1 Chemaxon Polarizability 40.29 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0ue9-0005900000-5c88119ce08a96509090 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0f79-0009500000-8537907e793dd53fc187 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0009100000-89e6cdd014eb16e10a79 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-114i-0009200000-91a1abca6c4fccb4884a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0089-1109100000-19a077afedab2c585c2c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0j4i-0009000000-f325fcdc80e3d8a79736 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 189.67769 predictedDeepCCS 1.0 (2019) [M+H]+ 192.0357 predictedDeepCCS 1.0 (2019) [M+Na]+ 198.5755 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:32 / Updated at February 21, 2021 18:53