Stepronin

Identification

Name
Stepronin
Accession Number
DB01423
Type
Small Molecule
Groups
Experimental
Description

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.

Structure
Thumb
Synonyms
  • Stepronin
  • Stepronine
  • Stepronino
  • Steproninum
  • Tiofacic
Product Ingredients
IngredientUNIICASInChI Key
Stepronin sodiumFR96Q1BI9E78126-10-0LAKRODSFPQQVBB-UHFFFAOYSA-M
Categories
UNII
0NOY894QRB
CAS number
72324-18-6
Weight
Average: 273.329
Monoisotopic: 273.012949225
Chemical Formula
C10H11NO4S2
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

Pharmacology

Indication

Strepronin is a mucolytic (expectorant) drug.

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
Toxicity
Not Available
Affected organisms
  • Humans and other mammals
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
2-MethoxyethanolThe risk or severity of adverse effects can be increased when Stepronin is combined with 2-Methoxyethanol.
9-(N-methyl-L-isoleucine)-cyclosporin AThe risk or severity of adverse effects can be increased when Stepronin is combined with 9-(N-methyl-L-isoleucine)-cyclosporin A.
AbataceptThe risk or severity of adverse effects can be increased when Abatacept is combined with Stepronin.
AbetimusThe risk or severity of adverse effects can be increased when Stepronin is combined with Abetimus.
ActeosideThe risk or severity of adverse effects can be increased when Stepronin is combined with Acteoside.
AdalimumabThe risk or severity of adverse effects can be increased when Adalimumab is combined with Stepronin.
Adenovirus type 7 vaccine liveThe risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Stepronin.
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Stepronin.
AfelimomabThe risk or severity of adverse effects can be increased when Stepronin is combined with Afelimomab.
AldesleukinThe risk or severity of adverse effects can be increased when Aldesleukin is combined with Stepronin.
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0015492
PubChem Compound
54120
PubChem Substance
46507364
ChemSpider
48889
ChEBI
135129
ChEMBL
CHEMBL2107531
PharmGKB
PA164748630
Wikipedia
Stepronin
ATC Codes
R05CB11 — Stepronin

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.211 mg/mLALOGPS
logP1.29ALOGPS
logP1.27ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)3.56ChemAxon
pKa (Strongest Basic)-4.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area83.47 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity64.8 m3·mol-1ChemAxon
Polarizability25.98 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.7834
Blood Brain Barrier+0.8925
Caco-2 permeable-0.6881
P-glycoprotein substrateNon-substrate0.6071
P-glycoprotein inhibitor INon-inhibitor0.9693
P-glycoprotein inhibitor IINon-inhibitor0.9626
Renal organic cation transporterNon-inhibitor0.9546
CYP450 2C9 substrateNon-substrate0.6679
CYP450 2D6 substrateNon-substrate0.8149
CYP450 3A4 substrateNon-substrate0.6934
CYP450 1A2 substrateNon-inhibitor0.8722
CYP450 2C9 inhibitorNon-inhibitor0.8673
CYP450 2D6 inhibitorNon-inhibitor0.9494
CYP450 2C19 inhibitorNon-inhibitor0.8365
CYP450 3A4 inhibitorNon-inhibitor0.905
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9385
Ames testNon AMES toxic0.8822
CarcinogenicityNon-carcinogens0.8835
BiodegradationReady biodegradable0.8478
Rat acute toxicity2.0075 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9968
hERG inhibition (predictor II)Non-inhibitor0.9441
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

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 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
N-acyl-alpha-amino acid / Thiophene carboxylic acid or derivatives / Thiophene / Heteroaromatic compound / Carboxamide group / Secondary carboxylic acid amide / Thiocarboxylic acid ester / Carbothioic s-ester / Sulfenyl compound / Thiocarboxylic acid or derivatives
show 13 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on July 24, 2007 05:38 / Updated on November 02, 2018 09:09