ARTEMETHER

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Synonyms
Status
Molecule Category Free-form
ATC P01BE02
UNII C7D6T3H22J
EPA CompTox DTXSID7040651

Structure

InChI Key SXYIRMFQILZOAM-HVNFFKDJSA-N
Smiles CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H26O5
Molecular Weight 298.38
AlogP 2.84
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 46.15
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Ferriprotoporphyrin IX inhibitor INHIBITOR DailyMed Wikipedia Wikipedia
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Candida albicans
- - - - 10.1
Mus musculus
- 351 - - -
Plasmodium berghei
- - - - 100
Plasmodium berghei ANKA
- 3 - - -
Plasmodium falciparum
- 1.92-25 - - 50
Plasmodium falciparum 3D7
- 1.26-3.53 - - -
Plasmodium falciparum Dd2
- 2.3 - - -
Plasmodium falciparum K1
- 1.26-20 - - -
Plasmodium falciparum NF54
- 3.8-5.77 - - -
Saccharomyces cerevisiae
- - - - 45.8-68.8
Toxoplasma gondii
- 310 - - -

Related Entries

Cross References

Resources Reference
ChEBI 195280
ChEMBL CHEMBL566534
DrugBank DB06697
DrugCentral 245
FDA SRS C7D6T3H22J
Human Metabolome Database HMDB0015643
Guide to Pharmacology 9955
PDB D8Z
PubChem 68911
SureChEMBL SCHEMBL1650501
ZINC ZINC000014263142
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