droxinostat   Click here for help

GtoPdb Ligand ID: 8464

Synonyms: NS-41080 | NS41080
PDB Ligand
Compound class: Synthetic organic
Comment: Droxinostat is a selective inhibitor of histone deacetylases (HDACs) 3, 6 and 8 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 58.56
Molecular weight 243.07
XLogP 2.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ONC(=O)CCCOc1ccc(cc1C)Cl
Isomeric SMILES ONC(=O)CCCOc1ccc(cc1C)Cl
InChI InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)
InChI Key JHSXDAWGLCZYSM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(4-Chloro-2-methylphenoxy)-N-hydroxybutanamide
Synonyms Click here for help
NS-41080 | NS41080
Database Links Click here for help
CAS Registry No. 99873-43-5
ChEMBL Ligand CHEMBL1526649
GtoPdb PubChem SID 252166674
PubChem CID 568416
RCSB PDB Ligand XCH
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