naphthoquine

Ligand id: 10396

Name: naphthoquine

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 57.18
Molecular weight 409.19
XLogP 5.83
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
2-[(tert-butylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
Comments
Naphthoquine is a 4-aminoquinoline antimalarial compound.
The marketed formulations contain naphthoquine phosphate (PubChem CID 9851774).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
CAS Registry No. 173531-57-2 (source: Scifinder)
GtoPdb PubChem SID 384403675
PubChem CID 9851775
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