lumefantrine

Ligand id: 9969

Name: lumefantrine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 23.47
Molecular weight 527.15
XLogP 10.14
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
Approved drug? Yes (FDA (2009) in combination with artemether)
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
International Nonproprietary Names
INN number INN
7610 lumefantrine
Synonyms
benflumetol
Comments
Lumefantrine belongs to the aryl amino alcohols, a chemical class of antimalarial compounds that includes quinine, mefloquine and halofantrine.
Lumefantrine is a racemic mixture, with PubChem listing 9 stereoisotopes.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
CAS Registry No. 82186-77-4 (source: Scifinder)
ChEBI CHEBI:156095
ChEMBL Ligand CHEMBL38827
DrugBank Ligand DB06708
GtoPdb PubChem SID 374883856
PubChem CID 6437380
Search Google for chemical match using the InChIKey DYLGFOYVTXJFJP-MYYYXRDXSA-N
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Search UniChem for chemical match using the InChIKey DYLGFOYVTXJFJP-MYYYXRDXSA-N
Search UniChem for chemicals with the same backbone DYLGFOYVTXJFJP