This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Fasiglifam
- DrugBank Accession Number
- DB12491
- Background
Fasiglifam has been used in trials studying the treatment of Chronic Kidney Disease, Type 2 Diabetes Mellitus, and Diabetes Mellitus, Type 2.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Fasiglifam (DB12491)
- Weight
- Average: 524.63
Monoisotopic: 524.186874544 - Chemical Formula
- C29H32O7S
- Synonyms
- Fasiglifam
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
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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. View sample adverse effects data in our new Data Library!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
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Biphenyls and derivatives
- Direct Parent
- Biphenyls and derivatives
- Alternative Parents
- Coumarans / m-Xylenes / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Sulfones / Oxacyclic compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides show 2 more
- Substituents
- Alkyl aryl ether / Aromatic heteropolycyclic compound / Biphenyl / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Coumaran / Ether / Hydrocarbon derivative / M-xylene show 12 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- GLP1W4JXAH
- CAS number
- 1000413-72-8
- InChI Key
- BZCALJIHZVNMGJ-HSZRJFAPSA-N
- InChI
- InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
- IUPAC Name
- 2-[(3S)-6-{[4'-(3-methanesulfonylpropoxy)-2',6'-dimethyl-[1,1'-biphenyl]-3-yl]methoxy}-2,3-dihydro-1-benzofuran-3-yl]acetic acid
- SMILES
- CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C1=CC=CC(COC2=CC=C3[C@H](CC(O)=O)COC3=C2)=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 24857286
- PubChem Substance
- 347828726
- ChemSpider
- 26323628
- BindingDB
- 50386790
- ChEMBL
- CHEMBL1829174
- ZINC
- ZINC000068208039
- PDBe Ligand
- 2YB
- PDB Entries
- 4phu / 8ejc / 8ejk
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Type 2 Diabetes Mellitus 1 3 Terminated Treatment Glycemic Control 1 3 Terminated Treatment Type 2 Diabetes Mellitus 1 3 Withdrawn Treatment Chronic Kidney Disease (CKD) / Type 2 Diabetes Mellitus 1 2 Terminated Treatment Type 2 Diabetes Mellitus 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 0.000185 mg/mL ALOGPS logP 4.43 ALOGPS logP 4.17 Chemaxon logS -6.4 ALOGPS pKa (Strongest Acidic) 3.76 Chemaxon pKa (Strongest Basic) -4.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 99.13 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 142.67 m3·mol-1 Chemaxon Polarizability 58.35 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 22:35 / Updated at February 21, 2021 18:53