NAV

Resminostat

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

Identification

Generic Name
Resminostat
DrugBank Accession Number
DB12392
Background

Resminostat has been used in trials studying the treatment of Sezary Syndrome, Mycosis fungoides, Hodgkin's Lymphoma, Hepatocellular Carcinoma, and Lymphoma, T-Cell, Cutaneous, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 349.41
Monoisotopic: 349.109627278
Chemical Formula
C16H19N3O4S
Synonyms
  • Resminostat
External IDs
  • 4SC-201
  • BYK-408740
  • BYK408740
  • RAS-2410
  • RAS2410
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.
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 benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzenesulfonamides
Direct Parent
Benzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds / Phenylmethylamines / Benzylamines / Aralkylamines / Substituted pyrroles / Sulfonyls / Organosulfonic acids and derivatives / Heteroaromatic compounds / Trialkylamines / Hydroxamic acids
show 5 more
Substituents
Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Benzenesulfonamide / Benzenesulfonyl group / Benzylamine / Carbonyl group / Carboxylic acid derivative
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
1578EUB98L
CAS number
864814-88-0
InChI Key
FECGNJPYVFEKOD-VMPITWQZSA-N
InChI
InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+
IUPAC Name
(2E)-3-(1-{4-[(dimethylamino)methyl]benzenesulfonyl}-1H-pyrrol-3-yl)-N-hydroxyprop-2-enamide
SMILES
CN(C)CC1=CC=C(C=C1)S(=O)(=O)N1C=CC(\C=C\C(=O)NO)=C1

References

General References
Not Available
PubChem Compound
11609955
PubChem Substance
347828639
ChemSpider
9784710
ZINC
ZINC000013983495
PDBe Ligand
P7D
Wikipedia
Resminostat
PDB Entries
6pzr / 6uob

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4RecruitingTreatmentImmunoglobulin A Nephropathy1
2Active Not RecruitingTreatmentCutaneous T-Cell Lymphoma (CTCL) / Mycosis Fungoides (MF) / Sezary Syndrome1
2CompletedTreatmentHepatocellular Carcinoma1
2CompletedTreatmentHodgkin's Lymphoma1
1CompletedTreatmentCutaneous T-Cell Lymphoma (CTCL) / Mycosis Fungoides (MF) / Sezary Syndrome1

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 Solubility0.18 mg/mLALOGPS
logP1.1ALOGPS
logP1.1Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)9.57Chemaxon
pKa (Strongest Basic)8.24Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area91.64 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity92.97 m3·mol-1Chemaxon
Polarizability36.52 Å3Chemaxon
Number of Rings2Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0f8c-3914000000-ab53d102ec5a68fdf542
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udj-0709000000-e62bd8f198a4a0f4b119
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-0009000000-ce74fd6049b71bece6bc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00l2-0904000000-7a97c3eba1c590ed0deb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0329000000-b41ded2d099cfa55da41
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-1921000000-61cbdbb76140832b87c5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-8932000000-64504bc4036c9d1f62b1
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]-208.4321665
predicted
DarkChem Lite v0.1.0
[M-H]-187.60033
predicted
DeepCCS 1.0 (2019)
[M+H]+210.3680665
predicted
DarkChem Lite v0.1.0
[M+H]+189.95833
predicted
DeepCCS 1.0 (2019)
[M+Na]+208.7780665
predicted
DarkChem Lite v0.1.0
[M+Na]+196.90555
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:11 / Updated at February 21, 2021 18:53