Identification
NameStepronin
Accession NumberDB01423
TypeSmall Molecule
GroupsApproved
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
External IDs Not Available
Product Ingredients
IngredientUNIICASInChI KeyDetails
Stepronin sodiumFR96Q1BI9E 78126-10-0LAKRODSFPQQVBB-UHFFFAOYSA-MDetails
Approved Prescription ProductsNot Available
Approved Generic Prescription ProductsNot Available
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII0NOY894QRB
CAS number72324-18-6
WeightAverage: 273.329
Monoisotopic: 273.012949225
Chemical FormulaC10H11NO4S2
InChI KeyJNYSEDHQJCOWQU-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.

Structured Indications Not Available
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.

Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organisms
  • Humans and other mammals
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions
DrugInteractionDrug group
BCG vaccineThe therapeutic efficacy of Bcg can be decreased when used in combination with Stepronin.Investigational
DenosumabThe risk or severity of adverse effects can be increased when Denosumab is combined with Stepronin.Approved
FingolimodStepronin may increase the immunosuppressive activities of Fingolimod.Approved, Investigational
G17DTThe risk or severity of adverse effects can be increased when Stepronin is combined with G17DT.Investigational
INGN 201The risk or severity of adverse effects can be increased when Stepronin is combined with INGN 201.Investigational
INGN 225The risk or severity of adverse effects can be increased when Stepronin is combined with INGN 225.Investigational
LeflunomideThe risk or severity of adverse effects can be increased when Stepronin is combined with Leflunomide.Approved, Investigational
NatalizumabThe risk or severity of adverse effects can be increased when Stepronin is combined with Natalizumab.Approved, Investigational
PimecrolimusThe risk or severity of adverse effects can be increased when Pimecrolimus is combined with Stepronin.Approved, Investigational
RindopepimutThe risk or severity of adverse effects can be increased when Stepronin is combined with CDX-110.Investigational
RoflumilastRoflumilast may increase the immunosuppressive activities of Stepronin.Approved
Sipuleucel-TThe therapeutic efficacy of Sipuleucel-T can be decreased when used in combination with Stepronin.Approved
SRP 299The risk or severity of adverse effects can be increased when Stepronin is combined with SRP 299.Investigational
TacrolimusThe risk or severity of adverse effects can be increased when Tacrolimus is combined with Stepronin.Approved, Investigational
TofacitinibStepronin may increase the immunosuppressive activities of Tofacitinib.Approved, Investigational
TrastuzumabTrastuzumab may increase the neutropenic activities of Stepronin.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesR05CB11 — Stepronin
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials Not Available
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental PropertiesNot 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
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis compound belongs to the class of chemical entities 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.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic acids and derivatives
Sub ClassCarboxylic acids and derivatives
Direct ParentN-acyl-alpha amino acids
Alternative ParentsThiophene 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
SubstituentsN-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
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Drug created on July 24, 2007 05:38 / Updated on August 02, 2017 16:33