SRT-2104

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
SRT-2104
Accession Number
DB12186
Type
Small Molecule
Groups
Investigational
Description

SRT2104 has been investigated for the basic science and treatment of Sepsis, PSORIASIS, Atrophy, Muscular, and Diabetes Mellitus, Type 2.

Structure
Thumb
Synonyms
Not Available
External IDs
SRT2104
Categories
UNII
4521NR0J09
CAS number
1093403-33-8
Weight
Average: 516.64
Monoisotopic: 516.140216385
Chemical Formula
C26H24N6O2S2
InChI Key
LAMQVIQMVKWXOC-UHFFFAOYSA-N
InChI
InChI=1S/C26H24N6O2S2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33)
IUPAC Name
4-methyl-N-(2-{3-[(morpholin-4-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILES
CC1=C(SC(=N1)C1=CC=CN=C1)C(=O)NC1=CC=CC=C1C1=CN2C(CN3CCOCC3)=CSC2=N1

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
25108829
PubChem Substance
347828472
ChemSpider
28637794

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceChronic Obstructive Pulmonary Disease (COPD) / Healthy Volunteers1
1CompletedBasic ScienceHealthy Volunteers / Muscular Atrophy1
1CompletedBasic ScienceHealthy Volunteers / Type 2 Diabetes Mellitus4
1CompletedBasic ScienceSepsis1
1CompletedBasic ScienceType 2 Diabetes Mellitus1
1CompletedTreatmentUlcerative Colitis (UC)1
1WithdrawnBasic ScienceHealthy Volunteers / Muscular Atrophy1
2CompletedOtherType 2 Diabetes Mellitus1
2CompletedTreatmentPsoriasis1
2CompletedTreatmentType 2 Diabetes Mellitus1

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 Solubility0.0264 mg/mLALOGPS
logP3.79ALOGPS
logP3.29ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)11.2ChemAxon
pKa (Strongest Basic)5.89ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area84.65 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity163.83 m3·mol-1ChemAxon
Polarizability54.74 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Aromatic anilides
Alternative Parents
Phenylimidazoles / 2,4,5-trisubstituted thiazoles / Thiazolecarboxamides / 2-heteroaryl carboxamides / Aralkylamines / Pyridines and derivatives / Morpholines / N-substituted imidazoles / Heteroaromatic compounds / Secondary carboxylic acid amides
show 7 more
Substituents
Aromatic anilide / 5-phenylimidazole / 4-phenylimidazole / 2-heteroaryl carboxamide / 2,4,5-trisubstituted 1,3-thiazole / Thiazolecarboxamide / Thiazolecarboxylic acid or derivatives / Aralkylamine / Morpholine / N-substituted imidazole
show 25 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:34 / Updated on June 04, 2019 07:33