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
- Artefenomel
- DrugBank Accession Number
- DB11809
- Background
Artefenomel has been investigated for the treatment of Malaria.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Artefenomel (DB11809)
- Weight
- Average: 469.622
Monoisotopic: 469.28282336 - Chemical Formula
- C28H39NO5
- Synonyms
- Artefenomel
- External IDs
- OZ-439
- OZ439
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 softwareAcetophenazine The risk or severity of QTc prolongation can be increased when Artefenomel is combined with Acetophenazine. Alimemazine The risk or severity of QTc prolongation can be increased when Artefenomel is combined with Alimemazine. Ambroxol The risk or severity of methemoglobinemia can be increased when Artefenomel is combined with Ambroxol. Artemether The risk or severity of QTc prolongation can be increased when Artefenomel is combined with Artemether. Articaine The risk or severity of methemoglobinemia can be increased when Artefenomel is combined with Articaine. - Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Artefenomel Mesylate PXW0Q9H3IJ 1029939-87-4 WQAWGRIICHFPFL-ULBNONRQSA-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
- Phenoxy compounds / Alkyl aryl ethers / Trioxolanes / Morpholines / Trialkylamines / Dialkyl peroxides / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds / Organopnictogen compounds show 1 more
- Substituents
- 1,2,4-trioxolane / Alkyl aryl ether / Amine / Aromatic heteropolycyclic compound / Azacycle / Dialkyl ether / Dialkyl peroxide / Ether / Hydrocarbon derivative / Monocyclic benzene moiety show 13 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- RIK029813G
- CAS number
- 1029939-86-3
- InChI Key
- XLCNVWUKICLURR-BGJLAERMSA-N
- InChI
- InChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2/t20?,21?,23-,24?,25?,27+,28?
- IUPAC Name
- 4-(2-{4-[(4's,4''s)-dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-4''-yl]phenoxy}ethyl)morpholine
- SMILES
- C(CN1CCOCC1)OC1=CC=C(C=C1)[C@H]1CC[C@]2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
References
- General References
- Not Available
- External Links
- PubChem Compound
- 24999143
- PubChem Substance
- 347828156
- ChemSpider
- 52083295
- ChEMBL
- CHEMBL4061580
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 Malaria 1 somestatus stop reason just information to hide 2 Completed Treatment Malaria caused by Plasmodium falciparum / Malaria caused by plasmodium vivax 1 somestatus stop reason just information to hide 2 Completed Treatment Plasmodium Falciparum Infection 1 somestatus stop reason just information to hide 2 Completed Treatment Schistosomiasis Haematobium 1 somestatus stop reason just information to hide 2 Terminated Treatment Plasmodium Falciparum Infection 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 0.000467 mg/mL ALOGPS logP 4.51 ALOGPS logP 5.44 Chemaxon logS -6 ALOGPS pKa (Strongest Basic) 6.71 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 49.39 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 128.51 m3·mol-1 Chemaxon Polarizability 52.76 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00dr-0254900000-008751da122e2c910330 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0100900000-7db3a107d51e0edd5396 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0uxs-0908700000-49ded571765784efe498 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-05fr-1109700000-73ac4010d30bef8ff396 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0frb-4951500000-50d4ab1b0702c70e4aa3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-066r-0907400000-84b3e606ee8ddf7213ef 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]- 201.07594 predictedDeepCCS 1.0 (2019) [M+H]+ 203.47151 predictedDeepCCS 1.0 (2019) [M+Na]+ 209.45818 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:49 / Updated at September 28, 2023 05:46