marbostat-100

Ligand id: 9891

Name: marbostat-100

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 94.88
Molecular weight 404.15
XLogP 1.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
compound 5a [PMID: 29589441]
Comments
Marbostat-100 is a histone deacetylase (HDAC) inhibitor that is selective for HDAC6 [3]. It is a lead structure identified by structure-activity-relationship and medicinal chemistry efforts. HDAC6 isoform-specific compounds are predicted to provide anti-inflammatory activity relevant to the treatment of chronic immune and inflammatory disorders.
Database Links
GtoPdb PubChem SID 363894185
PubChem CID 118884610
Search Google for chemical match using the InChIKey ZCAIUGLOTHAUQX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZCAIUGLOTHAUQX
Search UniChem for chemical match using the InChIKey ZCAIUGLOTHAUQX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZCAIUGLOTHAUQX