arteflene

Ligand id: 10397

Name: arteflene

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 35.53
Molecular weight 408.12
XLogP 4.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
(1R,4S,5S,8R)-8-[(Z)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-4,8-dimethyl-6,7-dioxabicyclo[3.3.1]nonan-3-one
International Nonproprietary Names
INN number INN
7168 arteflene
Synonyms
Ro 42-1611
Comments
Arteflene is a synthetic endoperoxide with antimalarial activity. It is derived from yingzhaosu A, a phytochemical endoperoxide isolated from A. uncinatus and structurally unrelated to the artemisinins [1].
Database Links
CAS Registry No. 123407-36-3 (source: Scifinder)
ChEMBL Ligand CHEMBL380230
GtoPdb PubChem SID 384403676
PubChem CID 6436134
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