Artemisone
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Artemisone
- DrugBank Accession Number
- DB16097
- Background
Artemisone is under investigation in clinical trial NCT00936767 (Artemisone for the Treatment of Uncomplicated Falciparum Malaria in Western Cambodia).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 401.52
Monoisotopic: 401.187208896 - Chemical Formula
- C19H31NO6S
- Synonyms
- Artemifone
- Artemisone
- External IDs
- BAY 44-9585
- BAY-449585
Pharmacology
- Indication
Not Available
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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
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 796LMW5BUZ
- CAS number
- 255730-18-8
- InChI Key
- FDMUNKXWYMSZIR-NQWKWHCYSA-N
- InChI
- InChI=1S/C19H31NO6S/c1-12-4-5-15-13(2)16(20-8-10-27(21,22)11-9-20)23-17-19(15)14(12)6-7-18(3,24-17)25-26-19/h12-17H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19-/m1/s1
- IUPAC Name
- 4-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-yl]-1lambda6-thiomorpholine-1,1-dione
- SMILES
- [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H]([C@@H]2C)N1CCS(=O)(=O)CC1)O4
References
- General References
- Not Available
- External Links
- ChemSpider
- 9706240
- ChEMBL
- CHEMBL516268
- ZINC
- ZINC000072267010
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2, 3 Withdrawn Treatment Uncomplicated Malaria caused by Plasmodium falciparum 1
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 1.01 mg/mL ALOGPS logP 1.82 ALOGPS logP 2.21 Chemaxon logS -2.6 ALOGPS pKa (Strongest Basic) 2.06 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 74.3 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 97.24 m3·mol-1 Chemaxon Polarizability 42.25 Å3 Chemaxon Number of Rings 5 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-7bd96e642ef682c65bad Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-fe0e2f4c045f9c44cc14 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0141900000-d0f716ab2a32ab375503 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-9bcb32e73b6545451f3d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0v4i-0798500000-6118d0c57ecb51f08ec4 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fxt-0679200000-e7f4504aab2903bcf711 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:05 / Updated at February 21, 2021 18:55