MBX-8025

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

Identification

Name
MBX-8025
Accession Number
DB12390
Type
Small Molecule
Groups
Investigational
Description

MBX-8025 has been used in trials studying the treatment of Hyperlipidemia.

Structure
Thumb
Synonyms
Not Available
External IDs
(+)-MBX-8025
Categories
UNII
7C00L34NB9
CAS number
851528-79-5
Weight
Average: 444.47
Monoisotopic: 444.121829504
Chemical Formula
C21H23F3O5S
InChI Key
JWHYSEDOYMYMNM-QGZVFWFLSA-N
InChI
InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
IUPAC Name
2-(4-{[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl}-2-methylphenoxy)acetic acid
SMILES
CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC1=CC=C(OCC(O)=O)C(C)=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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11236126
PubChem Substance
347828637
ChemSpider
9411171
BindingDB
50213714
ChEMBL
CHEMBL230158
Wikipedia
Seladelpar

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHepatic Impairment1
2Active Not RecruitingTreatmentPrimary Biliary Cholangitis1
2CompletedTreatmentHomozygous Familial Hypercholesterolemia1
2CompletedTreatmentHyperlipidemias1
2RecruitingTreatmentNASH - Nonalcoholic Steatohepatitis1
2TerminatedTreatmentPrimary Biliary Cholangitis1
2, 3RecruitingTreatmentPrimary Biliary Cholangitis1

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 Solubility0.00102 mg/mLALOGPS
logP4.48ALOGPS
logP5.07ChemAxon
logS-5.6ALOGPS
pKa (Strongest Acidic)3.58ChemAxon
pKa (Strongest Basic)-4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area64.99 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity108.6 m3·mol-1ChemAxon
Polarizability44.04 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
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 phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenoxyacetic acid derivatives
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Trifluoromethylbenzenes / Thiophenol ethers / Phenoxy compounds / Phenol ethers / Toluenes / Alkyl aryl ethers / Alkylarylthioethers / Sulfenyl compounds / Carboxylic acids / Dialkyl ethers
show 6 more
Substituents
Phenoxyacetate / Trifluoromethylbenzene / Phenoxy compound / Aryl thioether / Phenol ether / Thiophenol ether / Alkyl aryl ether / Alkylarylthioether / Toluene / Carboxylic acid derivative
show 17 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:11 / Updated on November 02, 2018 07:24