Stepronin
Identification
- Generic Name
- Stepronin
- DrugBank Accession Number
- DB01423
- Background
Strepronin is a mucolytic drug. A mucolytic agent is any agent which dissolves thick mucus usually used to help relieve respiratory difficulties. The viscosity of mucous secretions in the lungs is dependent upon the concentrations of mucoprotein as well as the presence of disulfide bonds between these macromolecules and DNA.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 273.329
Monoisotopic: 273.012949225 - Chemical Formula
- C10H11NO4S2
- Synonyms
- Stepronin
- Stepronine
- Stepronino
- Steproninum
- Tiofacic
Pharmacology
- Indication
Strepronin is a mucolytic (expectorant) drug.
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- Pharmacodynamics
The drug promotes drainage of mucus from the lungs by thinning the mucus and lubricating the irritated respiratory tract
- Mechanism of action
An expectorant increases bronchial secretions and mucolytics help loosen thick bronchial secretions. Expectorants reduce the thickness or viscosity of bronchial secretions thus increasing mucus flow that can be removed more easily through coughing, Mucolytics break down the chemical structure of mucus molecules. The mucus becomes thinner and can be removed more easily through coughing.
- 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. View sample adverse effects data in our new Data Library!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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbatacept The risk or severity of adverse effects can be increased when Abatacept is combined with Stepronin. Adalimumab The risk or severity of adverse effects can be increased when Adalimumab is combined with Stepronin. Adenovirus type 7 vaccine live The risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Stepronin. Aldesleukin The risk or severity of adverse effects can be increased when Aldesleukin is combined with Stepronin. Alefacept The risk or severity of adverse effects can be increased when Alefacept is combined with Stepronin. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Stepronin sodium FR96Q1BI9E 78126-10-0 LAKRODSFPQQVBB-UHFFFAOYSA-M
Categories
- ATC Codes
- R05CB11 — Stepronin
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- N-acyl-alpha amino acids
- Alternative Parents
- Thiophene carboxylic acids and derivatives / Heteroaromatic compounds / Thioesters / Secondary carboxylic acid amides / Carbothioic S-esters / Sulfenyl compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organonitrogen compounds show 3 more
- Substituents
- Aromatic heteromonocyclic compound / Carbonyl group / Carbothioic s-ester / Carboxamide group / Carboxylic acid / Heteroaromatic compound / Hydrocarbon derivative / Monocarboxylic acid or derivatives / N-acyl-alpha-amino acid / Organic nitrogen compound show 13 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Humans and other mammals
Chemical Identifiers
- UNII
- 0NOY894QRB
- CAS number
- 72324-18-6
- InChI Key
- JNYSEDHQJCOWQU-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)
- IUPAC Name
- 2-[2-(thiophene-2-carbonylsulfanyl)propanamido]acetic acid
- SMILES
- CC(SC(=O)C1=CC=CS1)C(=O)NCC(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0015492
- PubChem Compound
- 54120
- PubChem Substance
- 46507364
- ChemSpider
- 48889
- 2375829
- ChEBI
- 135129
- ChEMBL
- CHEMBL2107531
- PharmGKB
- PA164748630
- Wikipedia
- Stepronin
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Suppository Tablet Granule Granule, for suspension Oral Powder, for solution - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.211 mg/mL ALOGPS logP 1.29 ALOGPS logP 1.27 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 3.56 Chemaxon pKa (Strongest Basic) -4.6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 83.47 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 64.8 m3·mol-1 Chemaxon Polarizability 25.98 Å3 Chemaxon Number of Rings 1 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
Property Value Probability Human Intestinal Absorption + 0.7834 Blood Brain Barrier + 0.8925 Caco-2 permeable - 0.6881 P-glycoprotein substrate Non-substrate 0.6071 P-glycoprotein inhibitor I Non-inhibitor 0.9693 P-glycoprotein inhibitor II Non-inhibitor 0.9626 Renal organic cation transporter Non-inhibitor 0.9546 CYP450 2C9 substrate Non-substrate 0.6679 CYP450 2D6 substrate Non-substrate 0.8149 CYP450 3A4 substrate Non-substrate 0.6934 CYP450 1A2 substrate Non-inhibitor 0.8722 CYP450 2C9 inhibitor Non-inhibitor 0.8673 CYP450 2D6 inhibitor Non-inhibitor 0.9494 CYP450 2C19 inhibitor Non-inhibitor 0.8365 CYP450 3A4 inhibitor Non-inhibitor 0.905 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9385 Ames test Non AMES toxic 0.8822 Carcinogenicity Non-carcinogens 0.8835 Biodegradation Ready biodegradable 0.8478 Rat acute toxicity 2.0075 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9968 hERG inhibition (predictor II) Non-inhibitor 0.9441
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-03du-9610000000-32727737eab60f2bd665 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-2910000000-1a4171f24b5fbcb1ce97 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-2900000000-96a29b8be986f5490efd Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001v-9500000000-95609b1409ac265231f3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-08gi-9600000000-8852447a31eedb7535ac Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-05ai-9000000000-e7a773db2781761f78b8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-da75b3caf532a4f76fd1 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 156.8780072 predictedDarkChem Lite v0.1.0 [M-H]- 153.99022 predictedDeepCCS 1.0 (2019) [M+H]+ 155.4985072 predictedDarkChem Lite v0.1.0 [M+H]+ 156.34822 predictedDeepCCS 1.0 (2019) [M+Na]+ 155.2761072 predictedDarkChem Lite v0.1.0 [M+Na]+ 162.44136 predictedDeepCCS 1.0 (2019)
Drug created at July 24, 2007 11:38 / Updated at June 12, 2020 16:51