Resminostat

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

Identification

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Name
Resminostat
Accession Number
DB12392
Type
Small Molecule
Groups
Investigational
Description

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.

Structure
Thumb
Synonyms
Not Available
External IDs
4SC-201 / BYK-408740 / BYK408740 / RAS-2410 / RAS2410
Categories
UNII
1578EUB98L
CAS number
864814-88-0
Weight
Average: 349.41
Monoisotopic: 349.109627278
Chemical Formula
C16H19N3O4S
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
PubChem Compound
11609955
PubChem Substance
347828639
ChemSpider
9784710
HET
P7D
Wikipedia
Resminostat
PDB Entries
6uob

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentAdvanced Colorectal Carcinoma1
1, 2CompletedTreatmentHepatocellular,Carcinoma1
2CompletedTreatmentHepatocellular,Carcinoma1
2CompletedTreatmentLymphoma, Hodgkins1
2RecruitingTreatmentLymphoma, T-Cell, Cutaneous / 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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Benzenesulfonamide / Benzenesulfonyl group / Benzylamine / Phenylmethylamine / Aralkylamine / Substituted pyrrole / Pyrrole / Heteroaromatic compound / Organic sulfonic acid or derivatives / Organosulfonic acid or derivatives
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:11 / Updated on December 02, 2019 09:24