Amithiozone

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

Identification

Name
Amithiozone
Accession Number
DB12829
Type
Small Molecule
Groups
Investigational
Description

Amithiozone has been used in trials studying the treatment of Mycobacterium Avium-intracellulare Infection.

Structure
Thumb
Synonyms
  • Thioacetazone
External IDs
NSC-3550 / SQ-2321 / TB I-698
Categories
UNII
MMG78X7SSR
CAS number
104-06-3
Weight
Average: 236.29
Monoisotopic: 236.073182196
Chemical Formula
C10H12N4OS
InChI Key
SRVJKTDHMYAMHA-WUXMJOGZSA-N
InChI
InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+
IUPAC Name
N-{4-[(1E)-({[thio(carbonoimidyl)]amino}imino)methyl]phenyl}ethanimidic acid
SMILES
[H]\C(=N/NC(S)=N)C1=CC=C(C=C1)N=C(C)O

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
DrugInteractionDrug group
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Amithiozone.Investigational
Picosulfuric acidThe therapeutic efficacy of Picosulfuric acid can be decreased when used in combination with Amithiozone.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9568512
PubChem Substance
347828995
ChemSpider
7843221
ChEMBL
CHEMBL375492
Wikipedia
Thioacetazone
ATC Codes
J04AK07 — ThioacetazoneJ04AM04 — Thioacetazone and isoniazid

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentInfection, Mycobacterium Avium-Intracellulare1

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 Solubility0.0512 mg/mLALOGPS
logP1.49ALOGPS
logP1.75ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)5.72ChemAxon
pKa (Strongest Basic)5.11ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area80.83 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity89.54 m3·mol-1ChemAxon
Polarizability25.02 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Acetanilides
Alternative Parents
N-acetylarylamines / Thiosemicarbazones / Acetamides / Secondary carboxylic acid amides / Organosulfur compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Acetanilide / N-acetylarylamine / N-arylamide / Thiosemicarbazone / Acetamide / Carboxamide group / Secondary carboxylic acid amide / Carboxylic acid derivative / Organic oxide / Organopnictogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:33 / Updated on June 02, 2018 08:42