Dacinostat

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Dacinostat
DrugBank Accession Number
DB17034
Background

Dacinostat is a novel histone deacetylase inhibitor.1

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 379.46
Monoisotopic: 379.189591677
Chemical Formula
C22H25N3O3
Synonyms
  • (2e)-n-hydroxy-3-(4-(((2-hydroxyethyl)(2-(1h-indol-3-yl)ethyl)amino)methyl)phenyl)propenamide
External IDs
  • LAQ-824
  • LAQ824
  • NVP-LAQ824

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
V10P524501
CAS number
404951-53-7
InChI Key
BWDQBBCUWLSASG-MDZDMXLPSA-N
InChI
InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
IUPAC Name
(2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol-3-yl)ethyl]amino]methyl}phenyl)prop-2-enamide
SMILES
OCCN(CCC1=CNC2=CC=CC=C12)CC1=CC=C(\C=C\C(=O)NO)C=C1

References

General References
  1. Mohseni J, Al-Najjar BO, Wahab HA, Zabidi-Hussin ZA, Sasongko TH: Transcript, methylation and molecular docking analyses of the effects of HDAC inhibitors, SAHA and Dacinostat, on SMN2 expression in fibroblasts of SMA patients. J Hum Genet. 2016 Sep;61(9):823-30. doi: 10.1038/jhg.2016.61. Epub 2016 Jun 2. [Article]
ChemSpider
4949231
BindingDB
19428
ChEMBL
CHEMBL356066
ZINC
ZINC000001494627

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00515 mg/mLALOGPS
logP2.86ALOGPS
logP2.05Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)9.78Chemaxon
pKa (Strongest Basic)9.16Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area88.59 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity111.94 m3·mol-1Chemaxon
Polarizability42.37 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 17:26 / Updated at December 01, 2022 11:34