Acotiamide

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

Identification

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Name
Acotiamide
Accession Number
DB12482
Type
Small Molecule
Groups
Investigational
Description

Acotiamide has been used in trials studying the treatment of Dyspepsia and Functional Dyspepsia.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
D42OWK5383
CAS number
185106-16-5
Weight
Average: 450.55
Monoisotopic: 450.193691256
Chemical Formula
C21H30N4O5S
InChI Key
TWHZNAUBXFZMCA-UHFFFAOYSA-N
InChI
InChI=1S/C21H30N4O5S/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27)
IUPAC Name
N-{2-[bis(propan-2-yl)amino]ethyl}-2-(2-hydroxy-4,5-dimethoxybenzamido)-1,3-thiazole-4-carboxamide
SMILES
COC1=C(OC)C=C(C(=O)NC2=NC(=CS2)C(=O)NCCN(C(C)C)C(C)C)C(O)=C1

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
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.
DrugInteraction
AcebutololAcotiamide may increase the bradycardic activities of Acebutolol.
AcetylcholineThe risk or severity of adverse effects can be increased when Acotiamide is combined with Acetylcholine.
AclidiniumThe therapeutic efficacy of Aclidinium can be decreased when used in combination with Acotiamide.
AgmatineThe therapeutic efficacy of Agmatine can be decreased when used in combination with Acotiamide.
AlcuroniumAcotiamide may decrease the neuromuscular blocking activities of Alcuronium.
AldosteroneThe therapeutic efficacy of Acotiamide can be decreased when used in combination with Aldosterone.
AlprenololAcotiamide may increase the bradycardic activities of Alprenolol.
AmantadineThe therapeutic efficacy of Amantadine can be decreased when used in combination with Acotiamide.
AmifampridineThe risk or severity of adverse effects can be increased when Acotiamide is combined with Amifampridine.
AmitriptylineThe therapeutic efficacy of Amitriptyline can be decreased when used in combination with Acotiamide.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C14127
PubChem Compound
5282338
PubChem Substance
347828720
ChemSpider
4445505
ChEBI
34523
ChEMBL
CHEMBL2107723
Wikipedia
Acotiamide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentFunctional Dyspepsia / Indigestion1
3CompletedTreatmentIndigestion1
Not AvailableCompletedOtherHealthy Volunteers1

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 Solubility0.0191 mg/mLALOGPS
logP3.12ALOGPS
logP1.62ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)8.24ChemAxon
pKa (Strongest Basic)9.62ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area113.02 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity121.14 m3·mol-1ChemAxon
Polarizability48.33 Å3ChemAxon
Number of Rings2ChemAxon
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 salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Salicylamides
Alternative Parents
Methoxyphenols / Dimethoxybenzenes / 4-alkoxyphenols / Benzamides / Thiazolecarboxamides / Phenoxy compounds / 2-heteroaryl carboxamides / Benzoyl derivatives / Anisoles / 1-hydroxy-2-unsubstituted benzenoids
show 11 more
Substituents
Salicylamide / Dimethoxybenzene / O-dimethoxybenzene / Methoxyphenol / Benzamide / 4-alkoxyphenol / Anisole / Thiazolecarboxylic acid or derivatives / Benzoyl / Phenol ether
show 30 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
salicylamides (CHEBI:34523)

Drug created on October 20, 2016 16:33 / Updated on September 02, 2019 19:42