Dacinostat
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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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- 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]
- External Links
- ChemSpider
- 4949231
- BindingDB
- 19428
- ChEMBL
- CHEMBL356066
- ZINC
- ZINC000001494627
Clinical Trials
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
Property Value Source Water Solubility 0.00515 mg/mL ALOGPS logP 2.86 ALOGPS logP 2.05 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 9.78 Chemaxon pKa (Strongest Basic) 9.16 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 88.59 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 111.94 m3·mol-1 Chemaxon Polarizability 42.37 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at October 11, 2022 17:26 / Updated at December 01, 2022 11:34