GSK-3 inhibitor IX

Ligand id: 5974

Name: GSK-3 inhibitor IX

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 73.72
Molecular weight 355
XLogP 2.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-bromo-3-[3-(hydroxyamino)-2H-indol-2-ylidene]-2,3-dihydro-1H-indol-2-one
Synonyms
6-bromoindirubin-3-oxime | BIO | BRW | indirubin deriv. 7a
Database Links
CAS Registry No. 667463-62-9
ChEMBL Ligand CHEMBL2178734
DrugBank Ligand DB03444
PubChem CID 5287844
Search Google for chemical match using the InChIKey WNWSUJQVZJJGLF-SQFISAMPSA-N
Search Google for chemicals with the same backbone WNWSUJQVZJJGLF
Search UniChem for chemical match using the InChIKey WNWSUJQVZJJGLF-SQFISAMPSA-N
Search UniChem for chemicals with the same backbone WNWSUJQVZJJGLF
Comments
This is compound 7a in [8]. It is a synthetic analogue of 6-bromoindirubin isolated from the Mediterranean mollusc Hexaplex trunculus [6].