This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Quisinostat
- DrugBank Accession Number
- DB12985
- Background
Quisinostat has been used in trials studying the treatment of Lymphoma, Neoplasms, Myelodysplastic Syndromes, and Advanced or Refractory Leukemia.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Quisinostat (DB12985)
- Weight
- Average: 394.479
Monoisotopic: 394.211724101 - Chemical Formula
- C21H26N6O2
- Synonyms
- Quisinostat
- External IDs
- JNJ 26481585
- JNJ-26481585
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- Chemical TaxonomyProvided by Classyfire
- 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
- 3-alkylindole / Amine / Amino acid or derivatives / Aminopyrimidine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carboxylic acid derivative / Dialkylarylamine show 20 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9BJ85K1J8S
- CAS number
- 875320-29-9
- 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
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 / 7q1b
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Cutaneous T-Cell Lymphoma (CTCL) 1 2 Completed Treatment Ovarian Cancer 1 1 Completed Treatment Epithelial Ovarian Cancer / Non-Small Cell Lung Cancer (NSCLC) 1 1 Completed Treatment Lymphoma / Neoplasm 1 1 Completed Treatment Multiple Myeloma (MM) 1 1 Terminated Treatment Advanced or Refractory Leukemia / Myelodysplastic Syndrome 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
Property Value Source Water Solubility 0.0716 mg/mL ALOGPS logP 2.04 ALOGPS logP 0.9 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 9.17 Chemaxon pKa (Strongest Basic) 10.06 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 95.31 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 113.51 m3·mol-1 Chemaxon Polarizability 42.83 Å3 Chemaxon Number of Rings 4 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 21, 2016 01:47 / Updated at February 21, 2021 18:54