artefenomel

Ligand id: 9971

Name: artefenomel

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 49.39
Molecular weight 469.28
XLogP 5.96
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
4-{2-{4-(cis-dispiro[adamantane-2,3'-[1,2,4]trioxolane- 5',1''-cyclohexane]-4''-yl)phenoxy]ethyl}morpholine
International Nonproprietary Names
INN number INN
9766 artefenomel
Synonyms
OZ439
Comments
Artefenomel is a synthetic ozonide (synthetic peroxide), a class of compound that retains the endoperoxide bridge of the artemisinin class but also contains the sterically bulky amantadine ring, which increases blood plasma stability [4]. Artefenomel is an antimalarial drug candidate under clinical development [1].

Potential Target/Mechanism Of Action: As the precise mechanism of action of artefenomel is not yet known, we do not have a molecular target for this compound.
Database Links
CAS Registry No. 1029939-86-3 (source: Scifinder)
GtoPdb PubChem SID 374883858
PubChem CID 24999143
Search Google for chemical match using the InChIKey XLCNVWUKICLURR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XLCNVWUKICLURR
Search PubMed clinical trials artefenomel
Search PubMed titles artefenomel
Search PubMed titles/abstracts artefenomel
Search UniChem for chemical match using the InChIKey XLCNVWUKICLURR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XLCNVWUKICLURR