GSK369796

Ligand id: 10411

Name: GSK369796

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 355.15
XLogP 4.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
2-[(tert-butylamino)methyl]-5-[(7-chloroquinolin-4-yl)amino]phenol
Synonyms
N-tert-Butyl isoquine
Comments
GSK369796 is a 4-aminoquinoline antimalarial compound that was synthesised using amodiaquine as the template molecule [3].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
CAS Registry No. 459133-38-1 (source: Scifinder)
ChEMBL Ligand CHEMBL147806
GtoPdb PubChem SID 385612172
PubChem CID 10316203
Search Google for chemical match using the InChIKey ZVMMVSSEAMUNGI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZVMMVSSEAMUNGI
Search UniChem for chemical match using the InChIKey ZVMMVSSEAMUNGI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZVMMVSSEAMUNGI