Zoliflodacin

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

Identification

Name
Zoliflodacin
Accession Number
DB12817
Type
Small Molecule
Groups
Investigational
Description

Zoliflodacin has been used in trials studying the basic science and treatment of Gonorrhoea.

Structure
Thumb
Synonyms
Not Available
External IDs
AZD-0914 / AZD0914 / ETX-0914 / ETX0914
Categories
UNII
FWL2263R77
CAS number
1620458-09-4
Weight
Average: 487.444
Monoisotopic: 487.150326231
Chemical Formula
C22H22FN5O7
InChI Key
ZSWMIFNWDQEXDT-ZESJGQACSA-N
InChI
InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1
IUPAC Name
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5',15'-dioxa-2',14'-diazaspiro[1,5-diazinane-3,8'-tetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadecane]-1'(10'),11',13',16'-tetraene-2,4,6-trione
SMILES
[H][C@]12[C@H](C)O[C@H](C)CN1C1=C(CC22C(=O)NC(=O)NC2=O)C=C2C(ON=C2N2[C@@H](C)COC2=O)=C1F

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
PubChem Compound
76685216
PubChem Substance
347828988
ChemSpider
35013017
BindingDB
139376
ChEMBL
CHEMBL3544978
Wikipedia
Zoliflodacin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceElectrocardiogram Repolarisation Abnormality / Gonococcal infections1
1CompletedBasic ScienceHealthy Volunteers1
1CompletedTreatmentGonorrhea1
1CompletedTreatmentGonorrhoea1
2CompletedTreatmentGonorrhoea1
3RecruitingTreatmentGonorrhea1

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 Solubility0.631 mg/mLALOGPS
logP1.36ALOGPS
logP1.51ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)7.31ChemAxon
pKa (Strongest Basic)-1.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area143.31 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity115.62 m3·mol-1ChemAxon
Polarizability46.27 Å3ChemAxon
Number of Rings6ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Hydroquinolines
Direct Parent
Hydroquinolines
Alternative Parents
Barbituric acid derivatives / Benzisoxazoles / Dialkylarylamines / Aralkylamines / N-acyl ureas / Oxazolidinones / Aryl fluorides / Benzenoids / Diazinanes / Imidolactams
show 13 more
Substituents
Tetrahydroquinoline / Barbiturate / Benzisoxazole / Tertiary aliphatic/aromatic amine / Dialkylarylamine / N-acyl urea / Pyrimidone / Ureide / Aralkylamine / Aryl fluoride
show 35 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:29 / Updated on June 12, 2020 10:53

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