NAV

Saroglitazar

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

Identification

Generic Name
Saroglitazar
DrugBank Accession Number
DB13115
Background

Saroglitazar has been investigated for the treatment of Fatty Liver.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 439.57
Monoisotopic: 439.181729592
Chemical Formula
C25H29NO4S
Synonyms
  • Saroglitazar
  • Saroglitazarum
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Saroglitazar magnesiumK8V5DLS63R1639792-20-3UJYFZCVPOSZDMK-YPPDDXJESA-L
International/Other Brands
Lipaglyn

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrroles
Sub Class
Substituted pyrroles
Direct Parent
Phenylpyrroles
Alternative Parents
Phenylpropanoic acids / Thiophenol ethers / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Alkylarylthioethers / Heteroaromatic compounds / Sulfenyl compounds / Azacyclic compounds / Carboxylic acids
show 6 more
Substituents
2-phenylpyrrole / 3-phenylpropanoic-acid / Alkyl aryl ether / Alkylarylthioether / Aromatic heteromonocyclic compound / Aryl thioether / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
E0YMX3S4JD
CAS number
495399-09-2
InChI Key
MRWFZSLZNUJVQW-DEOSSOPVSA-N
InChI
InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1
IUPAC Name
(2S)-2-ethoxy-3-[4-(2-{2-methyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrol-1-yl}ethoxy)phenyl]propanoic acid
SMILES
CCO[C@@H](CC1=CC=C(OCCN2C(C)=CC=C2C2=CC=C(SC)C=C2)C=C1)C(O)=O

References

General References
Not Available
PubChem Compound
60151560
PubChem Substance
347829238
ChemSpider
32079086
ChEBI
134708
ChEMBL
CHEMBL4297530
PDBe Ligand
EWR
Wikipedia
Saroglitazar
PDB Entries
6lxb / 6lxc / 7e0a

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4RecruitingTreatment(NAFLD) / Dyslipidemia / Obesity / Syndrome, Metabolic / Type 2 Diabetes Mellitus1
3RecruitingTreatment(NAFLD)1
3Unknown StatusTreatmentFatty Liver1
2CompletedTreatment(NAFLD) / Complication of Transplanted Liver1
2CompletedTreatmentFatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Non Alcoholic Steatohepatitis (NASH)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
TabletOral4.000 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00149 mg/mLALOGPS
logP5.05ALOGPS
logP5.53Chemaxon
logS-5.5ALOGPS
pKa (Strongest Acidic)3.73Chemaxon
pKa (Strongest Basic)-4.1Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area60.69 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity126.09 m3·mol-1Chemaxon
Polarizability48.69 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-0007-0009100000-04c181fe4eec22b4eff8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ta-9508100000-ccbf294178681115c594
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ugs-0219000000-c7d958dfd14ab2761dd4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0m07-9224000000-47b302e2a3fe4f864248
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0951000000-f6ab8b4750d21c74d391
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fus-3933100000-fc7ae579743d72ff5cf2
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-219.9425958
predicted
DarkChem Lite v0.1.0
[M-H]-190.9334
predicted
DeepCCS 1.0 (2019)
[M+H]+222.3717958
predicted
DarkChem Lite v0.1.0
[M+H]+193.29137
predicted
DeepCCS 1.0 (2019)
[M+Na]+220.4953958
predicted
DarkChem Lite v0.1.0
[M+Na]+199.43646
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 03:20 / Updated at September 28, 2023 05:48