artesunate

Ligand id: 9956

Name: artesunate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 100.52
Molecular weight 384.18
XLogP 2.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
International Nonproprietary Names
INN number INN
6459 artesunate
Comments
Artesunate is a semisynthetic derivative of artemisinin, a natural product isolated from the quinghaosu or sweet wormwood plant (Artemisia annua).
Artesunate is a prodrug that is converted to the active metabolite artenimol (dihydroartemisinin). It has potent antimalarial activity against the asexual blood stage of P. falciparum (including chloroquine-resistant strains) and is characterised by an extremely rapid parasitemia clearance.

Artesunate is listed in the WHO 20th Essential Medicines List (2017) as an antimalarial for curative treatment in combination with either amodiaquine, mefloquine or sulfadoxine + pyrimethamine (SP). These are three of the artemisinin-based combination therapies (ACTs) recommended in the WHO Guidelines for the treatment of malaria [2].

Potential Target/Mechanism Of Action: As the precise mechanism of action of artesunate is not yet known, we do not have a molecular target for this compound.
Database Links
CAS Registry No. 88495-63-0 (source: Scifinder)
GtoPdb PubChem SID 374883843
PubChem CID 5464098
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