Protionamide

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

Identification

Name
Protionamide
Accession Number
DB12667
Type
Small Molecule
Groups
Approved, Investigational
Description

Prothionamide has been used in trials studying the treatment of MDR-TB and HIV Infections.

Structure
Thumb
Synonyms
  • Prothionamide
External IDs
RP 9778 / TH-1321
Categories
UNII
76YOO33643
CAS number
14222-60-7
Weight
Average: 180.27
Monoisotopic: 180.072119568
Chemical Formula
C9H12N2S
InChI Key
VRDIULHPQTYCLN-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)
IUPAC Name
2-propylpyridine-4-carboimidothioic acid
SMILES
CCCC1=NC=CC(=C1)C(S)=N

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
DrugInteraction
(R)-warfarinThe risk or severity of bleeding can be increased when Protionamide is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Protionamide is combined with (S)-Warfarin.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Protionamide is combined with 4-hydroxycoumarin.
AcenocoumarolThe risk or severity of bleeding can be increased when Protionamide is combined with Acenocoumarol.
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Protionamide.
Anthrax immune globulin humanThe therapeutic efficacy of Anthrax immune globulin human can be decreased when used in combination with Protionamide.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Protionamide.
Bacillus calmette-guerin substrain connaught live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Protionamide.
Bacillus calmette-guerin substrain danish 1331 live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain danish 1331 live antigen can be decreased when used in combination with Protionamide.
Bacillus calmette-guerin substrain tice live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Protionamide.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
666418
PubChem Substance
347828871
ChemSpider
579891
ChEBI
32066
ChEMBL
CHEMBL1378024
Wikipedia
Prothionamide
ATC Codes
J04AD01 — Protionamide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers1
3RecruitingTreatmentMulti-Drug Resistant Tuberculosis1
4RecruitingTreatmentHuman Immunodeficiency Virus (HIV) Infections1

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 Solubility0.0983 mg/mLALOGPS
logP2.38ALOGPS
logP2.22ChemAxon
logS-3.3ALOGPS
pKa (Strongest Basic)7.31ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area36.74 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity63.86 m3·mol-1ChemAxon
Polarizability20.07 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-001i-1900000000-4e2e325a8024a29d1946
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0udi-3900000000-ebf07b82c23f40b432ab

Taxonomy

Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Not Available
Direct Parent
Pyridines and derivatives
Alternative Parents
Thioamides / Heteroaromatic compounds / Thiocarboxylic acid amides / Azacyclic compounds / Thiocarbonyl compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Pyridine / Heteroaromatic compound / Thioamide / Azacycle / Thiocarboxylic acid amide / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Thiocarbonyl group / Organosulfur compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:32 / Updated on November 02, 2018 07:28