SNX0723

Ligand id: 9260

Name: SNX0723

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 86.35
Molecular weight 399.2
XLogP 2.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-fluoro-6-[[(3S)-oxolan-3-yl]amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
Database Links
ChEMBL Ligand CHEMBL3104858
PubChem CID 67495834
RCSB PDB Ligand 2LC
Search Google for chemical match using the InChIKey GAGDTKJJVCLACJ-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone GAGDTKJJVCLACJ
Search UniChem for chemical match using the InChIKey GAGDTKJJVCLACJ-ZDUSSCGKSA-N
Search UniChem for chemicals with the same backbone GAGDTKJJVCLACJ
SynPHARM 83739 (in complex with heat shock protein 90 alpha family class A member 1)
Comments
SNX-2112 is an orally available, Hsp90 inhibitor that exhibits antitumour activity in vitro. It has an EC50 for inhibition of α-synuclein (αSyn) oligomerization of approximately 48 nM and was able to rescue αSyn-induced toxicity [2]. This suggests its possible use in Parkinson's disease and other neurodegenerative disorders linked to protein misfolding. A more recent publication has looked at the specificity of this and other inhibitors between HSP90 paralogues [1]. In another study this inhibitor also significantly reduced the cytotoxicity of NK cells by decreasing viability, inducing apoptosis and down-regulating the expression of cytokines and functional receptors, suggesting a potential immunosuppressant strategy [...] .