entinostat

Ligand id: 7007

Name: entinostat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 106.34
Molecular weight 376.15
XLogP 3.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
pyridin-3-ylmethyl N-({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate
International Nonproprietary Names
INN number INN
9016 entinostat
Synonyms
MS-275 | SNDX-275
Database Links
CAS Registry No. 209783-80-2
ChEMBL Ligand CHEMBL27759
GtoPdb PubChem SID 178103586
PubChem CID 4261
Search Google for chemical match using the InChIKey INVTYAOGFAGBOE-UHFFFAOYSA-N
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Search PubMed clinical trials entinostat
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Search UniChem for chemical match using the InChIKey INVTYAOGFAGBOE-UHFFFAOYSA-N
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Wikipedia Entinostat
Comments
Entinostat (MS-275) inhibits Class I histone deacetylases (HDACs 1, 2, 3 & 8), but has been shown to be somewhat selective for HDAC1 [1,4]. Studies in rodent models of inflammation suggest that inhibition by entinostat may be clinically useful [2,6-8], perhaps more so than broader acting Class I HDAC inhibitors such as vorinostat (SAHA) [6].