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
Structure for Resminostat (DB12392)
- Weight
- Average: 349.41
Monoisotopic: 349.109627278 - Chemical Formula
- C16H19N3O4S
- Synonyms
- Resminostat
- External IDs
- 4SC-201
- BYK-408740
- BYK408740
- RAS-2410
- RAS2410
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- PubChem Compound
- 11609955
- PubChem Substance
- 347828639
- ChemSpider
- 9784710
- ZINC
- ZINC000013983495
- PDBe Ligand
- P7D
- Wikipedia
- Resminostat
- PDB Entries
- 6pzr / 6uob
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Recruiting Treatment IgA Nephropathy (IgAN) 1 2 Active Not Recruiting Treatment Cutaneous T-Cell Lymphoma (CTCL) / Mycosis Fungoides (MF) / Sezary Syndrome 1 2 Completed Treatment Hepatocellular Carcinoma 1 2 Completed Treatment Hodgkin's Lymphoma 1 1 Completed Treatment Cutaneous T-Cell Lymphoma (CTCL) / Mycosis Fungoides (MF) / Sezary Syndrome 1 1, 2 Completed Treatment Advanced Colorectal Carcinoma 1 1, 2 Completed Treatment Hepatocellular Carcinoma 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
Property Value Source Water Solubility 0.18 mg/mL ALOGPS logP 1.1 ALOGPS logP 1.1 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 9.57 Chemaxon pKa (Strongest Basic) 8.24 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 91.64 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 92.97 m3·mol-1 Chemaxon Polarizability 36.52 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 22:11 / Updated at February 21, 2021 18:53