NAV

Tefinostat

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

Identification

Generic Name
Tefinostat
DrugBank Accession Number
DB15321
Background

Tefinostat is under investigation in clinical trial NCT02759601 (Dose Escalation Trial of Tefinostat for Cancer Associated Inflamation in Hepatocellular Carcinoma (HCC)).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 495.62
Monoisotopic: 495.273321303
Chemical Formula
C28H37N3O5
Synonyms
  • Tefinostat
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
Integrate drug-drug
interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Tefinostat is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Tefinostat is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Tefinostat is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Tefinostat is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Tefinostat is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
ZAU91150SB
CAS number
914382-60-8
InChI Key
GLNWREBYRLDPQP-MHZLTWQESA-N
InChI
InChI=1S/C28H37N3O5/c32-25(14-6-1-2-7-15-26(33)31-35)30-23-18-16-21(17-19-23)20-29-27(22-10-4-3-5-11-22)28(34)36-24-12-8-9-13-24/h3-5,10-11,16-19,24,27,29,35H,1-2,6-9,12-15,20H2,(H,30,32)(H,31,33)/t27-/m0/s1
IUPAC Name
cyclopentyl (2S)-2-[({4-[7-(hydroxycarbamoyl)heptanamido]phenyl}methyl)amino]-2-phenylacetate
SMILES
ONC(=O)CCCCCCC(=O)NC1=CC=C(CN[C@H](C(=O)OC2CCCC2)C2=CC=CC=C2)C=C1

References

General References
Not Available
ChemSpider
13083627
ZINC
ZINC000034775091

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2Unknown StatusTreatmentHepatocellular Carcinoma1

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 Solubility0.0012 mg/mLALOGPS
logP3.91ALOGPS
logP4.48Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)8.91Chemaxon
pKa (Strongest Basic)4.71Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area116.76 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity138.68 m3·mol-1Chemaxon
Polarizability55.59 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-002b-0006900000-fd1c70dd9608a7dbc1ff
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0bta-0001900000-15bd04bac55c2315f08b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05mp-3009500000-0db9d20933dc72265974
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uxr-0019200000-c8e4b48500fc9a54b427
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-11vs-1129200000-cffd66dfb57b74bbfedc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ka6-9037400000-c6ee159a3ac21fa85266
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]-269.0350179
predicted
DarkChem Lite v0.1.0
[M+H]+269.4887179
predicted
DarkChem Lite v0.1.0
[M+Na]+268.3742179
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 15:14 / Updated at February 21, 2021 18:55