NAV

Pemafibrate

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

Identification

Generic Name
Pemafibrate
DrugBank Accession Number
DB15212
Background

Pemafibrate is under investigation in clinical trial NCT03350165 (A Study of Pemafibrate in Patients With Nonalcoholic Fatty Liver Disease (NAFLD)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 490.556
Monoisotopic: 490.210386694
Chemical Formula
C28H30N2O6
Synonyms
  • Pemafibrate
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
17VGG92R23
CAS number
848259-27-8
InChI Key
ZHKNLJLMDFQVHJ-RUZDIDTESA-N
InChI
InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
IUPAC Name
(2R)-2-(3-{[(1,3-benzoxazol-2-yl)[3-(4-methoxyphenoxy)propyl]amino]methyl}phenoxy)butanoic acid
SMILES
CC[C@@H](OC1=CC(CN(CCCOC2=CC=C(OC)C=C2)C2=NC3=C(O2)C=CC=C3)=CC=C1)C(O)=O

References

General References
Not Available
ChemSpider
9700824
BindingDB
50214899
ChEMBL
CHEMBL247951
PDBe Ligand
P7F
Wikipedia
Pemafibrate
PDB Entries
6kaz / 6kb4 / 6kb9 / 6l96 / 7bq2 / 7wgn / 7wgq

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentDyslipidemia2
3RecruitingTreatmentHigh Cholesterol1
3RecruitingTreatmentHyperlipidemias1
3TerminatedPreventionDiabetic Macular Edema (DME) / Diabetic Retinopathy (DR)1
3TerminatedPreventionDyslipidemia / Type 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 Solubility0.0212 mg/mLALOGPS
logP5.22ALOGPS
logP5.79Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)3.94Chemaxon
pKa (Strongest Basic)0.39Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area94.26 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity134.68 m3·mol-1Chemaxon
Polarizability53.86 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/MSsplash10-00di-0029700000-05718bbb73d0155ae49a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ei-0089500000-b1f11d28d5bfdbcd0d5a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ds-2239600000-e35b54bb99842e9b574e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-024i-1198700000-def81295155c84693429
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-1192300000-306490817f973f4372a5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f7c-2592400000-e6adf9917aaa8e2e10d6
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]-221.899112
predicted
DarkChem Lite v0.1.0
[M+H]+220.315412
predicted
DarkChem Lite v0.1.0
[M+Na]+219.866812
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 15:00 / Updated at February 21, 2021 18:55