piperaquine

Ligand id: 10025

Name: piperaquine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 38.74
Molecular weight 534.21
XLogP 4.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
Approved drug? Yes (EMA (2011) in combination with artenimol)
IUPAC Name
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline
Comments


Piperaquine is listed in the WHO 20th Essential Medicines List (2017) as an antimalarial for curative treatment in combination with artenimol. This is one of the ACT recommended in the WHO Guidelines for the treatment of malaria [1].

Potential Target/Mechanism Of Action:
Database Links
ChEMBL Ligand CHEMBL303933
DrugBank Ligand DB13941
GtoPdb PubChem SID 375973214
PubChem CID 122262
Search Google for chemical match using the InChIKey UCRHFBCYFMIWHC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UCRHFBCYFMIWHC
Search UniChem for chemical match using the InChIKey UCRHFBCYFMIWHC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UCRHFBCYFMIWHC