NAV

Epetraborole

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

Identification

Generic Name
Epetraborole
DrugBank Accession Number
DB11744
Background

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
Similar Structures
Weight
Average: 237.06
Monoisotopic: 237.117238
Chemical Formula
C11H16BNO4
Synonyms
  • Epetraborole
External IDs
  • AN-3365
  • AN3365
  • GSK-2251052
  • GSK2251052
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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.
DrugInteraction
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interactions in your software
AcenocoumarolThe risk or severity of bleeding can be increased when Epetraborole is combined with Acenocoumarol.
AmbroxolThe risk or severity of methemoglobinemia can be increased when Epetraborole is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Epetraborole is combined with Articaine.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Epetraborole.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Epetraborole is combined with Benzocaine.
Food Interactions
Not Available

Products

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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
Affected organisms
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
2, 3Active Not RecruitingTreatmentMAC Lung Disease / Treatment Refractory MAC Lung Disease1
1CompletedBasic ScienceHealthy Volunteers (HV)1
1CompletedOtherCommunity 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-MSsplash10-0ff0-4910000000-842fba72db123adca3a6
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-a5475ac6dcba42ce38ae
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udr-0970000000-7e22621c73c447342ff5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dr-0190000000-50a50457b6493a08bf48
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0wmi-0950000000-058cea077b82fdd3626f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ke-1900000000-622d67c8a1db8ab359fa
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0w2a-1900000000-7c4789401c15bc5fc174
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 20, 2016 20:44 / Updated at February 21, 2021 18:53