AQ-13

Ligand id: 10391

Name: AQ-13

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 28.16
Molecular weight 291.15
XLogP 3.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
N'-(7-chloroquinolin-4-yl)-N,N-diethylpropane-1,3-diamine
Synonyms
Ro 47-0543
Comments
AQ-13 is a 4-aminoquinoline antimalarial compound related to chloroquine [3,7].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
CAS Registry No. 32571-49-6 (source: Scifinder)
ChEMBL Ligand CHEMBL144037
GtoPdb PubChem SID 384403670
PubChem CID 3805581
Search Google for chemical match using the InChIKey NCPLTAGJJVCHOW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NCPLTAGJJVCHOW
Search UniChem for chemical match using the InChIKey NCPLTAGJJVCHOW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NCPLTAGJJVCHOW