Epetraborole

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

Identification

Name
Epetraborole
Accession Number
DB11744
Description

Epetraborole has been used in trials studying the treatment of Infections, Bacterial, Infections, Intestinal, Infections, Urinary Tract, and Community-acquired Infection.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 237.06
Monoisotopic: 237.117238
Chemical Formula
C11H16BNO4
Synonyms
Not Available
External IDs
  • AN-3365
  • AN3365
  • GSK-2251052
  • GSK2251052

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Learn about our commercial Adverse Effects data.
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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.
DrugInteraction
AcenocoumarolThe risk or severity of bleeding can be increased when Epetraborole is combined with Acenocoumarol.
DicoumarolThe risk or severity of bleeding can be increased when Epetraborole is combined with Dicoumarol.
FluindioneThe risk or severity of bleeding can be increased when Epetraborole is combined with Fluindione.
LactuloseThe therapeutic efficacy of Lactulose can be decreased when used in combination with Epetraborole.
PhenindioneThe risk or severity of bleeding can be increased when Epetraborole is combined with Phenindione.
PhenprocoumonThe risk or severity of bleeding can be increased when Epetraborole is combined with Phenprocoumon.
Picosulfuric acidThe therapeutic efficacy of Picosulfuric acid can be decreased when used in combination with Epetraborole.
Typhoid vaccineThe therapeutic efficacy of Typhoid vaccine can be decreased when used in combination with Epetraborole.
Vibrio cholerae CVD 103-HgR strain live antigenThe therapeutic efficacy of Vibrio cholerae CVD 103-HgR strain live antigen can be decreased when used in combination with Epetraborole.
WarfarinThe risk or severity of bleeding can be increased when Epetraborole is combined with Warfarin.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

Products

Product Ingredients
IngredientUNIICASInChI Key
Epetraborole HydrochlorideMM0NZY12FA1234563-16-6DADYQGIQOBJGIW-HNCPQSOCSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Not Available
Direct Parent
Phenol ethers
Alternative Parents
Aralkylamines / Alkyl aryl ethers / Oxaborole derivatives / Boronic acid esters / Oxacyclic compounds / Organic metalloid salts / Primary alcohols / Organometalloid compounds / Monoalkylamines / Hydrocarbon derivatives
Substituents
1,2-oxaborole derivative / Alcohol / Alkyl aryl ether / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Boronic acid derivative / Boronic acid ester / Ether / Hydrocarbon derivative
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
6MC93Z2DF9
CAS number
1093643-37-8
InChI Key
FXQIIDINBDJDKL-SNVBAGLBSA-N
InChI
InChI=1S/C11H16BNO4/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10/h1,3-4,10,14-15H,2,5-7,13H2/t10-/m1/s1
IUPAC Name
(3S)-3-(aminomethyl)-7-(3-hydroxypropoxy)-1,3-dihydro-2,1-benzoxaborol-1-ol
SMILES
NC[C@H]1OB(O)C2=C1C=CC=C2OCCCO

References

General References
Not Available
PubChem Compound
46836890
PubChem Substance
347828102
ChemSpider
32698085
ChEMBL
CHEMBL3549142
ZINC
ZINC000198027014

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentInfections, Intestinal1
2TerminatedTreatmentUrinary Tract Infection1
1CompletedOtherCommunity-Acquired Infections2
1CompletedTreatmentBacterial Infections1
1CompletedTreatmentGram-Negative Bacterial Infections1
1TerminatedOtherCommunity-Acquired Infections2

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 Solubility1.04 mg/mLALOGPS
logP0.08ALOGPS
logP-0.43ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)7.92ChemAxon
pKa (Strongest Basic)9.28ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area84.94 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity58.88 m3·mol-1ChemAxon
Polarizability25.48 Å3ChemAxon
Number of Rings2ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Drug created on October 20, 2016 14:44 / Updated on June 12, 2020 10:53

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