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.
We show one representation of artenimol here. As with other natural products, there are alternative chemical structures due to the complex stereochemistry.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
CAS Registry No. 71939-50-9 (source: Scifider)
GtoPdb PubChem SID 374883844
PubChem CID 3000518
Search Google for chemical match using the InChIKey BJDCWCLMFKKGEE-ISOSDAIHSA-N
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Search UniChem for chemicals with the same backbone BJDCWCLMFKKGEE