NPC1161B

Ligand id: 10393

Name: NPC1161B

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 69.4
Molecular weight 433.13
XLogP 4.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
(4R)-N-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamine
Synonyms
NPC-1161B
Comments
NPC1161B is a next-generation lead compound for the 8-aminoquinoline class of antimalarial compounds. It is the (-)-enantiomer of NPC1161C [1].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
ChEMBL Ligand CHEMBL1739268
GtoPdb PubChem SID 384403672
PubChem CID 16126827
Search Google for chemical match using the InChIKey UEFVAUCKVCFRDW-CQSZACIVSA-N
Search Google for chemicals with the same backbone UEFVAUCKVCFRDW
Search UniChem for chemical match using the InChIKey UEFVAUCKVCFRDW-CQSZACIVSA-N
Search UniChem for chemicals with the same backbone UEFVAUCKVCFRDW