NPC1161B

Ligand id: 10393

Name: NPC1161B

Structure and Physico-chemical Properties

2D Structure
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 the (-)-enantiomer of the 8-aminoquinoline derivative, NPC1161C [1].
Database Links
ChEMBL Ligand CHEMBL1739268
PubChem CID 16126827
Search Google for chemical match using the InChIKey UEFVAUCKVCFRDW-CQSZACIVSA-N
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Search UniChem for chemical match using the InChIKey UEFVAUCKVCFRDW-CQSZACIVSA-N
Search UniChem for chemicals with the same backbone UEFVAUCKVCFRDW