Remetinostat

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

Identification

Generic Name
Remetinostat
DrugBank Accession Number
DB14869
Background

Remetinostat is under investigation in clinical trial NCT02213861 (Efficacy, Safety and Tolerability Study of SHAPE in IA, IB or IIA Cutaneous T-cell Lymphoma).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 323.345
Monoisotopic: 323.1368874
Chemical Formula
C16H21NO6
Synonyms
  • Remetinostat
External IDs
  • SHP-141

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
37NT056AT4
CAS number
946150-57-8
InChI Key
XDZAHHULFQIBFE-UHFFFAOYSA-N
InChI
InChI=1S/C16H21NO6/c1-22-16(20)12-8-10-13(11-9-12)23-15(19)7-5-3-2-4-6-14(18)17-21/h8-11,21H,2-7H2,1H3,(H,17,18)
IUPAC Name
methyl 4-{[7-(hydroxycarbamoyl)heptanoyl]oxy}benzoate
SMILES
COC(=O)C1=CC=C(OC(=O)CCCCCCC(=O)NO)C=C1

References

General References
Not Available
ChemSpider
32767611
ChEMBL
CHEMBL3707219

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentBasal Cell Carcinoma (BCC) of the Skin1
2TerminatedTreatmentSquamous Cell Carcinoma (SCC)1
2Unknown StatusTreatmentAlopecia Areata (AA)1
2Unknown StatusTreatmentCutaneous T-Cell Lymphoma (CTCL)1
1CompletedTreatmentCutaneous T-Cell Lymphoma (CTCL)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 Solubility0.014 mg/mLALOGPS
logP2.18ALOGPS
logP2.38Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)8.91Chemaxon
pKa (Strongest Basic)-5.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area101.93 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity82.1 m3·mol-1Chemaxon
Polarizability34.42 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-00dl-0392000000-9f34f23206cdedc906d7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-0291000000-487b276dbd1b9d72e2ed
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-08ml-2951000000-0c2ad76924cc0ee4d51c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6x-6892000000-2c11a38d96d24561302d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-2931000000-382655079704fb52ec7b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9120000000-df54d40d8db18a880e85
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]-203.9088023
predicted
DarkChem Lite v0.1.0
[M+H]+205.8909023
predicted
DarkChem Lite v0.1.0
[M+Na]+204.8168023
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 14:31 / Updated at December 06, 2022 13:40