1-azakenpaullone

Ligand id: 8018

Name: 1-azakenpaullone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 57.78
Molecular weight 327
XLogP 2.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
azakenpaullone
Database Links
CAS Registry No. 676596-65-9
ChEMBL Ligand CHEMBL336961
GtoPdb PubChem SID 249565698
PubChem CID 6538897
Search Google for chemical match using the InChIKey NTSBZVCEIVPKBJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NTSBZVCEIVPKBJ
Search UniChem for chemical match using the InChIKey NTSBZVCEIVPKBJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NTSBZVCEIVPKBJ
Comments
1-azakenpaullone is a potent and selective ATP-competitive inhibitor of glycogen synthase kinase-3β (GSK-3β) [4]. In contrast to other paullones, this analogue has insignificant activity at the phylogenetically related cyclin-dependent kinases (CDKs) CDK1 and CDK5. 1-azakenpaullone is compound 16 in [4].