NAV

Fasiglifam

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
3D
Similar Structures
Weight
Average: 524.63
Monoisotopic: 524.186874544
Chemical Formula
C29H32O7S
Synonyms
  • Fasiglifam
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
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
PhaseStatusPurposeConditionsCount
3CompletedTreatmentType 2 Diabetes Mellitus1
3TerminatedTreatmentGlycemic Control1
3TerminatedTreatmentType 2 Diabetes Mellitus1
3WithdrawnTreatmentChronic Kidney Disease (CKD) / Type 2 Diabetes Mellitus1
2TerminatedTreatmentType 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 Solubility0.000185 mg/mLALOGPS
logP4.43ALOGPS
logP4.17Chemaxon
logS-6.4ALOGPS
pKa (Strongest Acidic)3.76Chemaxon
pKa (Strongest Basic)-4.4Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area99.13 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity142.67 m3·mol-1Chemaxon
Polarizability58.35 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
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/MSsplash10-004i-9201040000-84dea697416924e70572
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002b-5319140000-cc40d4b244d77577abd3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0k9i-0019200000-251439bb1ca32b954c71
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-0009400000-2949e075c09baa927063
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-2009100000-9ef6f66660fd0bd0706b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dr-6519300000-1f0259f3315f8524d17e
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-225.60155
predicted
DeepCCS 1.0 (2019)
[M+H]+227.99712
predicted
DeepCCS 1.0 (2019)
[M+Na]+233.90964
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:35 / Updated at February 21, 2021 18:53