artenimol

Ligand id: 9957

Name: artenimol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 57.15
Molecular weight 284.16
XLogP 2.81
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 (EMA (2011) in combination with piperaquine)
IUPAC Name
(3r,5as,6r,8as,9r,10s,12r,12ar)-decahydro-3,6,9-trimethyl-3,12-epoxy-12h-pyrano[4,3-j][1,2]benzodioxepin-10-ol
International Nonproprietary Names
INN number INN
7777 artenimol
Synonyms
DHA | dihydroartemisinin | GNF-Pf-5634
Comments
Artenimol is the active metabolite of artemisinin and all artemisinin-derived antimalarial compounds. The metabolite itself is used in formulations to treat malaria as part of an artemisinin-based combination therapy (ACT).
We show one representation of artenimol here. As with other natural products, there are alternative chemical structures due to the complex stereochemistry.

Artenimol is listed in the WHO 20th Essential Medicines List (2017) as an antimalarial for curative treatment in combination with piperaquine. This is one of the ACT recommended in the WHO Guidelines for the treatment of malaria [2].

Potential Target/Mechanism Of Action: As the precise mechanism of action of artenimol is not yet known, we do not have a molecular target for this compound.
Database Links
CAS Registry No. 71939-50-9 (source: Scifider)
GtoPdb PubChem SID 374883844
PubChem CID 3000518
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