Artemether (CED0002957)

Record Information

Version

1.0

Creation Date

2016-05-22 04:27:55 UTC

Update Date

2026-05-14 18:22:57 UTC

Accession Number

CHEM017563

Identification

Common Name

Artemether

Class

Small Molecule

Description

Artemether is an organic compound with the formula C16H26O5 and an average molecular weight of 298.37 g/mol. Artemether belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. This compound is a binder of the protein target Sodium/potassium-transporting ATPase subunit alpha-1 (ATP1A1). The substance is found in or released from four recorded sources: healthcare, pharmaceuticals & veterinary products (antiprotozoals), indoor air (air, dust & atmospheric transport), electric hearing aids (electrical & electronic equipment), and pipe accessories (household cleaning & consumer products). Recorded exposure routes for artemether include oral and inhalation.

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₂₆O₅

Average Molecular Mass

298.375 g/mol

Monoisotopic Mass

298.178 g/mol

CAS Registry Number

71963-77-4

IUPAC Name

(1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0⁴,¹³.0⁸,¹³]hexadecane

Traditional Name

artemether

SMILES

[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC)[C@@H]2C)O4

InChI Identifier

InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1

InChI Key

SXYIRMFQILZOAM-HVNFFKDJSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.46 g/L	ALOGPS
logP	3.02	ALOGPS
logP	3.48	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	46.15 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	74.66 m³·mol⁻¹	ChemAxon
Polarizability	32.12 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-057i-5090000000-fc5433b9f75609086e86	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0950000000-2ae4d4c9200a42ec883d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-c0ec8fcbcc43909770a9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-1090000000-91fcb170d91ec8805f9e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9010000000-7ba196bcd596e404b4b9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-1741b261e3a7a78d3c84	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000b-2090000000-e64eeb3b03db07c60244	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9260000000-801546a9d834f6774969	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-bf3f63bd98901493b94c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-529b8f9b9477c2586e60	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01r6-3090000000-4179518b1b8be25d1b9d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-fe868e873190173a7c92	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-f6a590f26f9c6239431f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-b3bab713ac1bba977b5c	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
8815.0	Log mg/kg	[5000:16000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
19	Indoor air	Air, dust & atmospheric transport	Not Available
385	Antiprotozoals	Healthcare, pharmaceuticals & veterinary products	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available

Pathways

3 pathways

Artemether Metabolism Pathway

Artemether Action Pathway (New)

Artemether Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	PCNA-associated factor	Q15004	Humans	Predicted (SEA)	1.40129
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	6119.73
Click to view 3D structure	Alpha-glucosidase MAL12	P53341	Saccharomyces cerevisiae S288c	Predicted (SEA)	2.88042
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	6818.42
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	3034.17
Click to view 3D structure	Ferritin heavy chain	P02794	Humans	Predicted (SEA)	3.19182
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	140.206
Click to view 3D structure	Krueppel-like factor 5	Q13887	Humans	Predicted (SEA)	3991.33
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	2231.55
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	6294.89
Click to view 3D structure	Androgen receptor	P19091	Mus musculus	Predicted (SEA)	1053.3
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	6276.9
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	127.751
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	708.973
Click to view 3D structure	Neurogenic locus notch homolog protein 1	Q01705	Mus musculus	Predicted (SEA)	42.35
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	5411.22
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	6501.11
Click to view 3D structure	Protein Wnt-3a	P27467	Mus musculus	Predicted (SEA)	4394.59
Click to view 3D structure	Zinc finger protein GLI1	P47806	Mus musculus	Predicted (SEA)	4908.86
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	7014.06
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	6782.92
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	5023.22
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	7624.24
Click to view 3D structure	Sex hormone-binding globulin	P08689	Rattus norvegicus	Predicted (SEA)	49.3564
Click to view 3D structure	Dihydroorotate dehydrogenase	Q54A96	Plasmodium falciparum	Predicted (SEA)	3023.27