This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Seladelpar
- DrugBank Accession Number
- DB12390
- Background
Seladelpar (MBX-8025) has been used in trials studying the treatment of Hyperlipidemia.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Seladelpar (DB12390)
- Weight
- Average: 444.47
Monoisotopic: 444.121829504 - Chemical Formula
- C21H23F3O5S
- Synonyms
- Seladelpar
- External IDs
- (+)-MBX-8025
- MBX-8025
- RWJ-800025
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
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.Not Available
- Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Seladelpar lysine N1429130KR 928821-40-3 WTKSWPYGZDCUNQ-JZXFCXSPSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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
- Alkyl aryl ether / Alkyl fluoride / Alkyl halide / Alkylarylthioether / Aromatic homomonocyclic compound / Aryl thioether / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Dialkyl ether show 17 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7C00L34NB9
- CAS number
- 851528-79-5
- 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
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11236126
- PubChem Substance
- 347828637
- ChemSpider
- 9411171
- BindingDB
- 50213714
- ChEMBL
- CHEMBL230158
- ZINC
- ZINC000028704627
- PDBe Ligand
- KKB
- Wikipedia
- Seladelpar
- PDB Entries
- 8hun / 8huo / 8hup
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Active Not Recruiting Treatment Primary Biliary Cholangitis 1 3 Completed Treatment Primary Biliary Cholangitis 1 3 Recruiting Treatment Primary Biliary Cholangitis 1 2 Completed Treatment Homozygous Familial Hypercholesterolaemia (HoFH) 1 2 Completed Treatment Hyperlipidemias 1 2 Completed Treatment Primary Biliary Cholangitis 1 2 Completed Treatment Primary Sclerosing Cholangitis (PSC) 1 2 Terminated Treatment Non Alcoholic Steatohepatitis (NASH) 1 2 Terminated Treatment Primary Biliary Cholangitis 1 1 Completed Treatment Hepatic Impairment 1
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
Property Value Source Water Solubility 0.00102 mg/mL ALOGPS logP 4.48 ALOGPS logP 5.07 Chemaxon logS -5.6 ALOGPS pKa (Strongest Acidic) 3.58 Chemaxon pKa (Strongest Basic) -4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.99 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 108.6 m3·mol-1 Chemaxon Polarizability 44.04 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 22:11 / Updated at May 31, 2023 14:09