kenpaullone

Ligand id: 6000

Name: kenpaullone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 44.89
Molecular weight 326.01
XLogP 3.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one
Synonyms
9-bromopaullone
Database Links
CAS Registry No. 142273-20-9
ChEMBL Ligand CHEMBL296586
PubChem CID 3820
Search Google for chemical match using the InChIKey QQUXFYAWXPMDOE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QQUXFYAWXPMDOE
Search UniChem for chemical match using the InChIKey QQUXFYAWXPMDOE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QQUXFYAWXPMDOE
Comments
Kenpaullone is an ATP-competitive inhibitor of several cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3β (GSK-3β) [3-4].