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Esaxerenone

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

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Identification

Generic Name
Esaxerenone
DrugBank Accession Number
DB15207
Background

Esaxerenone is under investigation in clinical trial NCT02722265 (Long-term Study of CS-3150 as Monotherapy or in Combination With Other Antihypertensive Drug in Japanese Patients With Essential Hypertension).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 466.48
Monoisotopic: 466.117412827
Chemical Formula
C22H21F3N2O4S
Synonyms
  • Esaxerenone
External IDs
  • CS-3150
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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 aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Aromatic anilides
Alternative Parents
Phenylpyrroles / Trifluoromethylbenzenes / Benzenesulfonyl compounds / Pyrrole carboxamides / Vinylogous amides / Sulfones / Heteroaromatic compounds / Secondary carboxylic acid amides / Azacyclic compounds / Alkanolamines
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Substituents
2-phenylpyrrole / Alcohol / Alkanolamine / Alkyl fluoride / Alkyl halide / Aromatic anilide / Aromatic heteromonocyclic compound / Azacycle / Benzenesulfonyl group / Carboxamide group
show 22 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
N62TGJ04A1
CAS number
1632006-28-0
InChI Key
NOSNHVJANRODGR-UHFFFAOYSA-N
InChI
InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)
IUPAC Name
1-(2-hydroxyethyl)-N-(4-methanesulfonylphenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILES
CC1=C(N(CCO)C=C1C(=O)NC1=CC=C(C=C1)S(C)(=O)=O)C1=C(C=CC=C1)C(F)(F)F

References

General References
Not Available
ChemSpider
28666733
BindingDB
50398059
ChEMBL
CHEMBL2181932
ZINC
ZINC000043200720
PDBe Ligand
E6R
Wikipedia
Esaxerenone
PDB Entries
6l88

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
Unlock 175K+ rows when you subscribe.View sample data
3CompletedTreatmentHypertension1somestatusstop reasonjust information to hide
3CompletedTreatmentHypertension With Moderate Renal Impairment1somestatusstop reasonjust information to hide
3CompletedTreatmentHypertension, Essential Hypertension2somestatusstop reasonjust information to hide
3CompletedTreatmentSevere Hypertension1somestatusstop reasonjust information to hide
2CompletedTreatmentDiabetic Nephropathy1somestatusstop reasonjust information to hide

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 Solubility0.00475 mg/mLALOGPS
logP3.31ALOGPS
logP3.48Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)14.97Chemaxon
pKa (Strongest Basic)-2.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area88.4 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity117.57 m3·mol-1Chemaxon
Polarizability45.47 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
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/MSsplash10-014j-0050900000-7f87d305fe4650e10afa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0000900000-bac521a1a9ed7e68f5e4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0010900000-ba1fb085a2574b1ee5ce
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00xs-0000900000-34ae934d6db1636c6d2b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0frx-0039100000-a8f148546668c15ad669
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9214200000-48f4547c41d26b7be650
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:59 / Updated at February 21, 2021 18:55