Givinostat

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

Identification

Name
Givinostat
Accession Number
DB12645
Type
Small Molecule
Groups
Investigational
Description

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.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
5P60F84FBH
CAS number
497833-27-9
Weight
Average: 421.497
Monoisotopic: 421.200156361
Chemical Formula
C24H27N3O4
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

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
VemurafenibThe risk or severity of QTc prolongation can be increased when Vemurafenib is combined with Givinostat.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9804992
PubChem Substance
347828853
ChemSpider
7980752
BindingDB
50105329
ChEBI
94187
ChEMBL
CHEMBL1213492

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2Active Not RecruitingTreatmentPolycythemia Vera (PV)1
1, 2CompletedTreatmentDuchenne's Muscular Dystrophy (DMD)1
2CompletedTreatmentPolycythemia Vera (PV)1
2Not Yet RecruitingTreatmentBecker's Muscular Dystrophy (BMD)1
2RecruitingTreatmentChronic Myeloproliferative Neoplasms1
2TerminatedTreatmentPolyarticular Course Juvenile Idiopathic Arthritis1
3RecruitingTreatmentDuchenne's Muscular Dystrophy (DMD)1
Not AvailableTerminatedTreatmentJuvenile Idiopathic Arthritis (JIA)1

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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Phenylcarbamic acid ester / Naphthalene / Benzoic acid or derivatives / Benzoyl / Aralkylamine / Carbamic acid ester / Amino acid or derivatives / Hydroxamic acid / Tertiary aliphatic amine / Tertiary amine
show 12 more
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:24 / Updated on December 01, 2017 16:32