TWS119

Ligand id: 5980

Name: TWS119

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 97.05
Molecular weight 318.11
XLogP 3.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenol
Synonyms
GSK inhibitor XII | GSK-3beta inhibitor XII | TWS-119
Database Links
CAS Registry No. 601514-19-6
ChEMBL Ligand CHEMBL405759
PubChem CID 9549289
Search Google for chemical match using the InChIKey VPVLEBIVXZSOMQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VPVLEBIVXZSOMQ
Search UniChem for chemical match using the InChIKey VPVLEBIVXZSOMQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VPVLEBIVXZSOMQ
Comments
The discovery of this compound as a glycogen synthase kinase-3β (GSK-3β) inhibitor is described in [3].