NAV

Givinostat

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

Identification

Generic Name
Givinostat
DrugBank Accession Number
DB12645
Background

Givinostat has been used in trials studying the treatment of Polycythemia Vera, Juvenile Idiopathic Arthritis, Duchenne Muscular Dystrophy (DMD), Chronic Myeloproliferative Neoplasms, and Polyarticular Course Juvenile Idiopathic Arthritis.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 421.497
Monoisotopic: 421.200156361
Chemical Formula
C24H27N3O4
Synonyms
  • Givinostat
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UHistone deacetylase
inhibitor
Humans
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AcrivastineThe risk or severity of QTc prolongation can be increased when Acrivastine is combined with Givinostat.
AdenosineThe risk or severity of QTc prolongation can be increased when Givinostat is combined with Adenosine.
AjmalineThe risk or severity of QTc prolongation can be increased when Ajmaline is combined with Givinostat.
AlfuzosinThe risk or severity of QTc prolongation can be increased when Alfuzosin is combined with Givinostat.
AlimemazineThe risk or severity of QTc prolongation can be increased when Alimemazine is combined with Givinostat.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylcarbamic acid esters
Direct Parent
Phenylcarbamic acid esters
Alternative Parents
Naphthalenes / Benzoic acids and derivatives / Benzoyl derivatives / Aralkylamines / Carbamate esters / Trialkylamines / Organic carbonic acids and derivatives / Hydroxamic acids / Organopnictogen compounds / Organic oxides
show 2 more
Substituents
Amine / Amino acid or derivatives / Aralkylamine / Aromatic homopolycyclic compound / Benzoic acid or derivatives / Benzoyl / Carbamic acid ester / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative
show 12 more
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
5P60F84FBH
CAS number
497833-27-9
InChI Key
YALNUENQHAQXEA-UHFFFAOYSA-N
InChI
InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
IUPAC Name
{6-[(diethylamino)methyl]naphthalen-2-yl}methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate
SMILES
CCN(CC)CC1=CC=C2C=C(COC(=O)NC3=CC=C(C=C3)C(=O)NO)C=CC2=C1

References

General References
Not Available
PubChem Compound
9804992
PubChem Substance
347828853
ChemSpider
7980752
BindingDB
50105329
ChEBI
94187
ChEMBL
CHEMBL1213492
ZINC
ZINC000003820616
PDBe Ligand
QCM
Wikipedia
Givinostat
PDB Entries
6uoc

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentDuchenne Muscular Dystrophy (DMD)1
3Not Yet RecruitingTreatmentDuchenne Muscular Dystrophy (DMD)1
3Not Yet RecruitingTreatmentPolycythemia Vera (PV)1
2Active Not RecruitingTreatmentChronic Myeloproliferative Neoplasms1
2CompletedTreatmentActive Systemic / Onset Juvenile Idiopathic Arthritis1

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 Solubility0.0052 mg/mLALOGPS
logP4.18ALOGPS
logP3.51Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)9.99Chemaxon
pKa (Strongest Basic)9.35Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area90.9 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity122.49 m3·mol-1Chemaxon
Polarizability47.59 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00bi-3598500000-bf58ce314e74324de79e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uds-2900100000-503630a28f39f2cc87c2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-5900000000-ffd05267507bdcaa3377
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kr-1439100000-919c118261cc4c1cadf0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pb9-1901000000-def3c6e6b87bebfc6cad
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-5921000000-ccc9be85c65b98d72033
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-225.6468489
predicted
DarkChem Lite v0.1.0
[M-H]-203.70831
predicted
DeepCCS 1.0 (2019)
[M+H]+226.2010489
predicted
DarkChem Lite v0.1.0
[M+H]+206.06631
predicted
DeepCCS 1.0 (2019)
[M+Na]+225.6820489
predicted
DarkChem Lite v0.1.0
[M+Na]+213.90892
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Histone deacetylase (Protein Group)
Kind
Protein group
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Transcription regulatory region sequence-specific dna binding
Specific Function
Responsible for the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an impo...
Components:
NameUniProt ID
Histone deacetylase 1Q13547
Histone deacetylase 10Q969S8
Histone deacetylase 11Q96DB2
Histone deacetylase 2Q92769
Histone deacetylase 3O15379
Histone deacetylase 4P56524
Histone deacetylase 5Q9UQL6
Histone deacetylase 6Q9UBN7
Histone deacetylase 7Q8WUI4
Histone deacetylase 8Q9BY41
Histone deacetylase 9Q9UKV0
References
  1. Arya Y, Syal A, Gupta M, Gaba S: Advances in the Treatment of Polycythemia Vera: Trends in Disease Management. Cureus. 2021 Mar 30;13(3):e14193. doi: 10.7759/cureus.14193. [Article]
  2. Curreli F, Ahmed S, Victor SMB, Debnath AK: Identification of Combinations of Protein Kinase C Activators and Histone Deacetylase Inhibitors That Potently Reactivate Latent HIV. Viruses. 2020 Jun 3;12(6). pii: v12060609. doi: 10.3390/v12060609. [Article]

Drug created at October 20, 2016 23:24 / Updated at May 05, 2022 17:18