NAV

Tucidinostat

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

Identification

Generic Name
Tucidinostat
DrugBank Accession Number
DB06334
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 390.418
Monoisotopic: 390.149204031
Chemical Formula
C22H19FN4O2
Synonyms
  • Chidamide
  • Tucidinostat
External IDs
  • CS-055
  • CS055
  • HBI-8000
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Pharmacology

Indication

Investigated for use/treatment in cancer/tumors (unspecified).

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

Chidamide is an orally bioavailable histone deacetylase (HDAC) inhibitor derived from the benzamide class. Histone deacetylase inhibitors are a class of cancer drugs that induce selective regulation of gene expression in cancer cells. [HUYA Biosciences Press Release]

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
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.
DrugInteraction
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interactions in your software
AcrivastineThe risk or severity of QTc prolongation can be increased when Acrivastine is combined with Tucidinostat.
AdenosineThe risk or severity of QTc prolongation can be increased when Adenosine is combined with Tucidinostat.
AjmalineThe risk or severity of QTc prolongation can be increased when Ajmaline is combined with Tucidinostat.
AlfuzosinThe risk or severity of QTc prolongation can be increased when Alfuzosin is combined with Tucidinostat.
AlimemazineThe risk or severity of QTc prolongation can be increased when Alimemazine is combined with Tucidinostat.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Benzanilides
Alternative Parents
Benzamides / Benzoyl derivatives / Aniline and substituted anilines / Fluorobenzenes / Pyridines and derivatives / Aryl fluorides / Heteroaromatic compounds / Secondary carboxylic acid amides / Amino acids and derivatives / Azacyclic compounds
show 5 more
Substituents
Amine / Amino acid or derivatives / Aniline or substituted anilines / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzamide / Benzanilide / Benzoic acid or derivatives
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
87CIC980Y0
CAS number
1616493-44-7
InChI Key
SZMJVTADHFNAIS-BJMVGYQFSA-N
InChI
InChI=1S/C22H19FN4O2/c23-18-8-9-20(19(24)12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
IUPAC Name
N-(2-amino-4-fluorophenyl)-4-{[(2E)-3-(pyridin-3-yl)prop-2-enamido]methyl}benzamide
SMILES
NC1=CC(F)=CC=C1NC(=O)C1=CC=C(CNC(=O)\C=C\C2=CN=CC=C2)C=C1

References

General References
Not Available
ChemSpider
48058599
ChEBI
135918
ChEMBL
CHEMBL3621988

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Not Yet RecruitingTreatmentBreast Cancer1
4Unknown StatusTreatmentNK/T-cell Lymphoma2
4Unknown StatusTreatmentPeripheral T-Cell Lymphoma (PTCL)1
3Active Not RecruitingTreatmentDiffuse Large B-Cell Lymphoma (DLBCL)1
3CompletedTreatmentBreast Cancer1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00236 mg/mLALOGPS
logP2.55ALOGPS
logP2.47Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)13.67Chemaxon
pKa (Strongest Basic)4.84Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area97.11 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity112.68 m3·mol-1Chemaxon
Polarizability41.27 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/MSsplash10-014i-0393000000-2496fe4f4defed1dc4fd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-1091000000-388dda5e2ff74ff76db7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00l6-0549000000-2f5c001f59ba5fc890bd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004l-4932000000-98909ae3b819c9d48d0a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fsi-1900000000-500305ef7e7dceca17a7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-2911000000-2ac53917e1ed836832f3
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]-190.83127
predicted
DeepCCS 1.0 (2019)
[M+H]+193.18925
predicted
DeepCCS 1.0 (2019)
[M+Na]+199.73372
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:24 / Updated at February 21, 2021 18:52