compound 3a [PMID: 30344903]

Ligand id: 10320

Name: compound 3a [PMID: 30344903]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 53.08
Molecular weight 439.13
XLogP 4.43
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'-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine
Synonyms
Lys01
Comments
Compound 3a was developed for use as an antimalarial agent [2] and is also reported to be a potent inhibitor of autophagy [1].
Database Links
GtoPdb PubChem SID 381745001
PubChem CID 70673567
Search Google for chemical match using the InChIKey WDGQVCRQXSYPCW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WDGQVCRQXSYPCW
Search UniChem for chemical match using the InChIKey WDGQVCRQXSYPCW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WDGQVCRQXSYPCW