Quisinostat

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

Identification

Name
Quisinostat
Accession Number
DB12985
Type
Small Molecule
Groups
Investigational
Description

Quisinostat has been used in trials studying the treatment of Lymphoma, Neoplasms, Myelodysplastic Syndromes, and Advanced or Refractory Leukemia.

Structure
Thumb
Synonyms
Not Available
External IDs
JNJ 26481585 / JNJ-26481585
Categories
UNII
9BJ85K1J8S
CAS number
875320-29-9
Weight
Average: 394.479
Monoisotopic: 394.211724101
Chemical Formula
C21H26N6O2
InChI Key
PAWIYAYFNXQGAP-UHFFFAOYSA-N
InChI
InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
IUPAC Name
N-hydroxy-2-[4-({[(1-methyl-1H-indol-3-yl)methyl]amino}methyl)piperidin-1-yl]pyrimidine-5-carboxamide
SMILES
CN1C=C(CNCC2CCN(CC2)C2=NC=C(C=N2)C(=O)NO)C2=CC=CC=C12

Pharmacology

Indication
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
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

References

General References
Not Available
External Links
PubChem Compound
11538455
PubChem Substance
347829124
ChemSpider
9713236
BindingDB
50105327
ChEBI
94771
ChEMBL
CHEMBL2105763
ZINC
ZINC000035836133
PDBe Ligand
GOK
Wikipedia
Quisinostat
PDB Entries
6hsh / 6hsk

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Ovarian Epithelial Cancer1
1CompletedTreatmentMalignant Lymphomas / Neoplasms1
1TerminatedTreatmentAdvanced or Refractory Leukemia / Myelodysplastic Syndromes1
2CompletedTreatmentLymphoma, T-Cell, Cutaneous1
2CompletedTreatmentOvarian Cancer1

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 Solubility0.0716 mg/mLALOGPS
logP2.04ALOGPS
logP0.9ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)9.17ChemAxon
pKa (Strongest Basic)10.06ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area95.31 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity113.51 m3·mol-1ChemAxon
Polarizability42.83 Å3ChemAxon
Number of Rings4ChemAxon
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 n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
N-alkylindoles
Direct Parent
N-alkylindoles
Alternative Parents
3-alkylindoles / Pyrimidinecarboxamides / Dialkylarylamines / Aminopyrimidines and derivatives / Aralkylamines / Piperidines / N-methylpyrroles / Benzenoids / Heteroaromatic compounds / Amino acids and derivatives
show 7 more
Substituents
N-alkylindole / 3-alkylindole / Indole / Pyrimidinecarboxamide / Pyrimidine-5-carboxylic acid or derivatives / Dialkylarylamine / Aminopyrimidine / Aralkylamine / N-methylpyrrole / Piperidine
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:47 / Updated on March 01, 2020 21:22

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