BELINOSTAT

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01XH04
UNII F4H96P17NZ
EPA CompTox DTXSID60194378

Structure

InChI Key NCNRHFGMJRPRSK-MDZDMXLPSA-N
Smiles O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO
InChI
InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14N2O4S
Molecular Weight 318.35
AlogP 2.01
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 95.5
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Histone deacetylase inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 97.1
Epigenetic regulator Eraser Histone deacetylase HDAC class I
30 1.376-620 - 0.85-26 78.5
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
30 10-87 - 15-380 20
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
30 9.85-87 - 1.6-59 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
30 10-87 - 27 -
Epigenetic regulator Reader Bromodomain
- 27 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 18
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis C virus
190 - - - -
Hepatitis C virus subtype 1b
120 - - - -
Homo sapiens
30 1.376-860 - 0.85-380 18-97.1
Mus musculus
- 0.059 - - -
Plasmodium falciparum
- 60 - - 78.5
Plasmodium falciparum 3D7
- 60-214.7 - - -
Plasmodium falciparum Dd2
- 60 - - -

Target Conservation

Protein: Histone deacetylase
Description: Histone deacetylase 3
Organism : Homo sapiens
O15379 ENSG00000171720
Protein: Histone deacetylase
Description: Histone deacetylase 1
Organism : Homo sapiens
Q13547 ENSG00000116478
Protein: Histone deacetylase
Description: Histone deacetylase 7
Organism : Homo sapiens
Q8WUI4 ENSG00000061273
Protein: Histone deacetylase
Description: Histone deacetylase 2
Organism : Homo sapiens
Q92769 ENSG00000196591
Protein: Histone deacetylase
Description: Polyamine deacetylase HDAC10
Organism : Homo sapiens
Q969S8 ENSG00000100429
Protein: Histone deacetylase
Description: Histone deacetylase 11
Organism : Homo sapiens
Q96DB2 ENSG00000163517
Protein: Histone deacetylase
Description: Histone deacetylase 8
Organism : Homo sapiens
Q9BY41 ENSG00000147099
Protein: Histone deacetylase
Description: Histone deacetylase 6
Organism : Homo sapiens
Q9UBN7 ENSG00000094631
Protein: Histone deacetylase
Description: Histone deacetylase 9
Organism : Homo sapiens
Q9UKV0 ENSG00000048052
Protein: Histone deacetylase
Description: Histone deacetylase 5
Organism : Homo sapiens
Q9UQL6 ENSG00000108840

Cross References

Resources Reference
ChEBI 61076
ChEMBL CHEMBL408513
DrugBank DB05015
FDA SRS F4H96P17NZ
Guide to Pharmacology 7496
KEGG D08870
PDB 5OG
PubChem 6918638
SureChEMBL SCHEMBL375656
ZINC ZINC000003818726
CONTENTS