GSK-3beta inhibitor VIII

Ligand id: 5979

Name: GSK-3beta inhibitor VIII

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 134.63
Molecular weight 308.06
XLogP 1.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
Synonyms
AR-A014418 | GSK-3b inhibitor VIII
Database Links
CAS Registry No. 487021-52-3
ChEMBL Ligand CHEMBL259850
DrugBank Ligand DB01950
PubChem CID 448014
RCSB PDB Ligand TMU
Search Google for chemical match using the InChIKey YAEMHJKFIIIULI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YAEMHJKFIIIULI
Search UniChem for chemical match using the InChIKey YAEMHJKFIIIULI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YAEMHJKFIIIULI
SynPHARM 80420 (in complex with glycogen synthase kinase 3 beta)
Comments
This is an experimental cell-permeable, ATP-competitive inhibitor of glycogen synthase kinase-3β (GSK-3β) [2].