Artefenomel

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

Identification

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Name
Artefenomel
Accession Number
DB11809
Type
Small Molecule
Groups
Investigational
Description

Artefenomel has been investigated for the treatment of Malaria.

Structure
Thumb
Synonyms
Not Available
External IDs
OZ-439 / OZ439
Product Ingredients
IngredientUNIICASInChI Key
Artefenomel MesylatePXW0Q9H3IJ1029939-87-4WQAWGRIICHFPFL-ULBNONRQSA-N
Categories
UNII
RIK029813G
CAS number
1029939-86-3
Weight
Average: 469.622
Monoisotopic: 469.28282336
Chemical Formula
C28H39NO5
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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
AcepromazineThe risk or severity of QTc prolongation can be increased when Artefenomel is combined with Acepromazine.
AceprometazineThe risk or severity of QTc prolongation can be increased when Artefenomel is combined with Aceprometazine.
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.
ArtemetherThe risk or severity of QTc prolongation can be increased when Artefenomel is combined with Artemether.
BL-1020The risk or severity of QTc prolongation can be increased when Artefenomel is combined with BL-1020.
ButaperazineThe risk or severity of QTc prolongation can be increased when Artefenomel is combined with Butaperazine.
ChlorproethazineThe risk or severity of QTc prolongation can be increased when Artefenomel is combined with Chlorproethazine.
ChlorpromazineThe risk or severity of QTc prolongation can be increased when Artefenomel is combined with Chlorpromazine.
CyamemazineThe risk or severity of QTc prolongation can be increased when Artefenomel is combined with Cyamemazine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
24999143
PubChem Substance
347828156
ChemSpider
52083295
ChEMBL
CHEMBL4061580

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers2
1CompletedBasic SciencePlasmodium Infections1
1CompletedOtherPlasmodium Infections1
1CompletedTreatmentHealthy Volunteers1
1CompletedTreatmentHealthy Volunteers / Malaria Falciparum / Malaria Vivax1
1CompletedTreatmentPlasmodium Infections6
1TerminatedTreatmentPlasmodium Infections1
1, 2CompletedTreatmentPlasmodium Infections2
1, 2TerminatedTreatmentPlasmodium Infections1
2CompletedTreatmentMalaria caused by Plasmodium falciparum / Malaria caused by plasmodium vivax1
2CompletedTreatmentPlasmodium Infections1
2RecruitingTreatmentPlasmodium Falciparum Infection2
2, 3CompletedTreatmentUncomplicated Plasmodium Falciparum Malaria1

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/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

Taxonomy

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
Phenoxy compound / Phenol ether / Alkyl aryl ether / Monocyclic benzene moiety / Morpholine / Oxazinane / 1,2,4-trioxolane / Tertiary amine / Dialkyl peroxide / Tertiary aliphatic amine
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:49 / Updated on September 02, 2019 22:00