Artefenomel

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

Identification

Generic Name
Artefenomel
DrugBank Accession Number
DB11809
Background

Artefenomel has been investigated for the treatment of Malaria.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 469.622
Monoisotopic: 469.28282336
Chemical Formula
C28H39NO5
Synonyms
  • Artefenomel
External IDs
  • OZ-439
  • OZ439

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
AcetophenazineThe risk or severity of QTc prolongation can be increased when Artefenomel is combined with Acetophenazine.
AlimemazineThe risk or severity of QTc prolongation can be increased when Artefenomel is combined with Alimemazine.
AmbroxolThe risk or severity of methemoglobinemia can be increased when Artefenomel is combined with Ambroxol.
ArtemetherThe risk or severity of QTc prolongation can be increased when Artefenomel is combined with Artemether.
ArticaineThe risk or severity of methemoglobinemia can be increased when Artefenomel is combined with Articaine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Artefenomel MesylatePXW0Q9H3IJ1029939-87-4WQAWGRIICHFPFL-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
PubChem Compound
24999143
PubChem Substance
347828156
ChemSpider
52083295
ChEMBL
CHEMBL4061580

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMalaria1
2CompletedTreatmentMalaria caused by Plasmodium falciparum / Malaria caused by plasmodium vivax1
2CompletedTreatmentPlasmodium Falciparum Infection1
2CompletedTreatmentSchistosomiasis haematobia1
2TerminatedTreatmentPlasmodium Falciparum Infection1

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 Solubility0.000467 mg/mLALOGPS
logP4.51ALOGPS
logP5.44Chemaxon
logS-6ALOGPS
pKa (Strongest Basic)6.71Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area49.39 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity128.51 m3·mol-1Chemaxon
Polarizability52.76 Å3Chemaxon
Number of Rings7Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dr-0254900000-008751da122e2c910330
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0100900000-7db3a107d51e0edd5396
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxs-0908700000-49ded571765784efe498
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05fr-1109700000-73ac4010d30bef8ff396
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0frb-4951500000-50d4ab1b0702c70e4aa3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-066r-0907400000-84b3e606ee8ddf7213ef
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-201.07594
predicted
DeepCCS 1.0 (2019)
[M+H]+203.47151
predicted
DeepCCS 1.0 (2019)
[M+Na]+209.45818
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:49 / Updated at September 28, 2023 05:46