PQA-18

Ligand id: 9454

Name: PQA-18

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 57.65
Molecular weight 409.23
XLogP 5.48
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-methylbut-2-enyl 4-methoxy-8-(3-methylbut-2-enoxy)quinoline-2-carboxylate
Database Links
ChEMBL Ligand CHEMBL3355920
PubChem CID 46910769
Search Google for chemical match using the InChIKey APPXFGJVXDYNBO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone APPXFGJVXDYNBO
Search UniChem for chemical match using the InChIKey APPXFGJVXDYNBO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone APPXFGJVXDYNBO
Comments
PQA-18 is a novel, non-competitive PAK2 inhibitor with potent immunosuppresive activity [1]. It is a derivative of the natural metabolite Ppc-1 (PubChem CID 46910769) extracted from Polysphondylium pseudo-candidum.