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 9.53
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), EMA (2010))
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 alcohol class of antimalarial compounds and has activity against the asexual blood stages of P. falciparum.
Lumefantrine is a racemic mixture, with PubChem listing 9 stereoisotopes.

Lumefantrine is listed in the WHO 20th Essential Medicines List (2017) as an antimalarial for curative treatment in combination with artemether. This is one of the artemisinin-based combination therapies (ACTs) recommended in the WHO Guidelines for the treatment of malaria [3].

Potential Target/Mechanism Of Action: As the precise mechanism of action of lumefantrine is not yet known, we do not have a molecular target for this compound.
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
Search Google for chemicals with the same backbone DYLGFOYVTXJFJP
Search PubMed clinical trials lumefantrine
Search PubMed titles lumefantrine
Search PubMed titles/abstracts lumefantrine
Search UniChem for chemical match using the InChIKey DYLGFOYVTXJFJP-MYYYXRDXSA-N
Search UniChem for chemicals with the same backbone DYLGFOYVTXJFJP