SS-208

Ligand id: 10490

Name: SS-208

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 104.46
Molecular weight 343.01
XLogP 2.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
compound 7b [PMID: 31414801] | SS208
Comments
SS-208 is reported as an isotype selective inhibitor of histone deacetylase 6 (HDAC6) [2]. It has been developed for potential to treat advanced melanoma. SS-208 has been designed to provide improved HDAC6 selectivity compared to ricolinostat and citarinostat which both exhibit unfavourable levels of HDAC1 inhibition.
Selective pharmacological inhibition or genetic abrogation of HDAC6 modulates immune checkpoint activity by downregulating the expression of PD-L1 via the recruitment and activation of STAT3 [1]. The antitumour activity of SS-208 in vivo is primarily mediated by activation of immune cells and an anti-tumour immune response in the tumour microenvironment.
Database Links
GtoPdb PubChem SID 385612249
PubChem CID 135348858
RCSB PDB Ligand JNN
Search Google for chemical match using the InChIKey JFGOILLZIAIYGA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JFGOILLZIAIYGA
Search UniChem for chemical match using the InChIKey JFGOILLZIAIYGA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JFGOILLZIAIYGA