This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
Structure for Albaconazole (DB12073)
- Weight
- Average: 431.83
Monoisotopic: 431.0960588 - Chemical Formula
- C20H16ClF2N5O2
- Synonyms
- Albaconazole
- External IDs
- UR-9825
- W-0027
- W0027
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcenocoumarol The therapeutic efficacy of Acenocoumarol can be increased when used in combination with Albaconazole. Almasilate Almasilate can cause a decrease in the absorption of Albaconazole resulting in a reduced serum concentration and potentially a decrease in efficacy. Aluminium phosphate Aluminium phosphate can cause a decrease in the absorption of Albaconazole resulting in a reduced serum concentration and potentially a decrease in efficacy. Aluminum hydroxide Aluminum hydroxide can cause a decrease in the absorption of Albaconazole resulting in a reduced serum concentration and potentially a decrease in efficacy. Amiodarone The therapeutic efficacy of Albaconazole can be increased when used in combination with Amiodarone. - 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
- External Links
- PubChem Compound
- 208952
- PubChem Substance
- 347828382
- ChemSpider
- 181045
- BindingDB
- 50011477
- ChEMBL
- CHEMBL298817
- ZINC
- ZINC000000602086
- Wikipedia
- Albaconazole
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Onychomycosis 1 somestatus stop reason just information to hide 2 Terminated Treatment Candidiasis Vulvaginitis 1 somestatus stop reason just information to hide 1 Completed Basic Science Onychomycosis 2 somestatus stop reason just information to hide 1 Completed Treatment Tinea Pedis 1 somestatus stop reason just information to hide
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 0.0245 mg/mL ALOGPS logP 2.05 ALOGPS logP 2.82 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 12.6 Chemaxon pKa (Strongest Basic) 2.38 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 83.61 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 120.08 m3·mol-1 Chemaxon Polarizability 39.89 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-054o-9863000000-d25d013bba2d16b547b4 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0005900000-e76336611eb02eb042f6 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-4011900000-98bef61df1ea22db5319 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03l1-2109100000-d0c664da757c34421c26 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9631500000-6965c97a069df64a67bd Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-9220100000-0608803692604f933137 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-b50ef1ecddef9f40b600 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]- 183.49474 predictedDeepCCS 1.0 (2019) [M+H]+ 185.8903 predictedDeepCCS 1.0 (2019) [M+Na]+ 191.80283 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:18 / Updated at February 21, 2021 18:53