Albaconazole

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

Identification

Generic Name
Albaconazole
DrugBank Accession Number
DB12073
Background

Albaconazole has been used in trials studying the basic science of Onychomycosis.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 431.83
Monoisotopic: 431.0960588
Chemical Formula
C20H16ClF2N5O2
Synonyms
  • Albaconazole
External IDs
  • UR-9825
  • W-0027
  • W0027

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be increased when used in combination with Albaconazole.
AlmasilateAlmasilate can cause a decrease in the absorption of Albaconazole resulting in a reduced serum concentration and potentially a decrease in efficacy.
Aluminium phosphateAluminium phosphate can cause a decrease in the absorption of Albaconazole resulting in a reduced serum concentration and potentially a decrease in efficacy.
Aluminum hydroxideAluminum hydroxide can cause a decrease in the absorption of Albaconazole resulting in a reduced serum concentration and potentially a decrease in efficacy.
AmiodaroneThe therapeutic efficacy of Albaconazole can be increased when used in combination with Amiodarone.
AmlodipineThe therapeutic efficacy of Albaconazole can be increased when used in combination with Amlodipine.
Amphotericin BThe therapeutic efficacy of Amphotericin B can be decreased when used in combination with Albaconazole.
AsenapineAsenapine can cause a decrease in the absorption of Albaconazole resulting in a reduced serum concentration and potentially a decrease in efficacy.
AtorvastatinThe risk or severity of myopathy can be increased when Albaconazole is combined with Atorvastatin.
BepridilThe therapeutic efficacy of Albaconazole can be increased when used in combination with Bepridil.
Interactions
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Quinazolines
Alternative Parents
Phenylpropanes / Pyrimidones / Fluorobenzenes / Aryl chlorides / Aryl fluorides / Triazoles / Tertiary alcohols / Heteroaromatic compounds / Lactams / Azacyclic compounds
show 7 more
Substituents
1,2,4-triazole / Alcohol / Aromatic alcohol / Aromatic heteropolycyclic compound / Aryl chloride / Aryl fluoride / Aryl halide / Azacycle / Azole / Benzenoid
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
YDW24Y8IAB
CAS number
187949-02-6
InChI Key
UHIXWHUVLCAJQL-MPBGBICISA-N
InChI
InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1
IUPAC Name
7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-3,4-dihydroquinazolin-4-one
SMILES
C[C@@H](N1C=NC2=CC(Cl)=CC=C2C1=O)[C@](O)(CN1C=NC=N1)C1=CC=C(F)C=C1F

References

General References
Not Available
PubChem Compound
208952
PubChem Substance
347828382
ChemSpider
181045
BindingDB
50011477
ChEMBL
CHEMBL298817
ZINC
ZINC000000602086
Wikipedia
Albaconazole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentOnychomycosis1
2TerminatedTreatmentCandidiasis Vulvaginitis1
1CompletedBasic ScienceOnychomycosis2
1CompletedTreatmentTinea Pedis1

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 Solubility0.0245 mg/mLALOGPS
logP2.05ALOGPS
logP2.82ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)12.6ChemAxon
pKa (Strongest Basic)2.38ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area83.61 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity120.08 m3·mol-1ChemAxon
Polarizability39.89 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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 21:18 / Updated on February 21, 2021 18:53