artemether

Ligand id: 9955

Name: artemether

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 46.15
Molecular weight 298.18
XLogP 3.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Ligand families/groups Antimalarial ligands
Approved drug? Yes (FDA (2009) in combination with lumefantrine)
International Nonproprietary Names
INN number INN
6458 artemether
Synonyms
β-artemether | beta-artemether
Comments
Artemether is a semisynthetic derivative of artemisinin, a natural product isolated from the quinghaosu or sweet wormwood plant (Artemisia annua). Synthesis yields two crystalline anomers, α- and β-artemether, the latter predominates and is marginally more active [2].
Artemether is a prodrug that is converted to the active metabolite artenimol (dihydroartemisinin).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
CAS Registry No. 71963-77-4 (source: Scifinder)
ChEBI CHEBI:195280
ChEMBL Ligand CHEMBL566534
DrugBank Ligand DB06697
GtoPdb PubChem SID 374883842
PubChem CID 68911
RCSB PDB Ligand D8Z
Search Google for chemical match using the InChIKey SXYIRMFQILZOAM-HVNFFKDJSA-N
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Search UniChem for chemical match using the InChIKey SXYIRMFQILZOAM-HVNFFKDJSA-N
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Wikipedia Artemether