NAV

Apararenone

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

Identification

Generic Name
Apararenone
DrugBank Accession Number
DB15024
Background

Apararenone is under investigation in clinical trial NCT02531568 (Drug Interaction Study of Warfarin and MT-3995).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 364.39
Monoisotopic: 364.089306372
Chemical Formula
C17H17FN2O4S
Synonyms
  • Apararenone
External IDs
  • MT-3995
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Pharmacology

Indication

Not Available

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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
832663U2NB
CAS number
945966-46-1
InChI Key
AZNHWXAFPBYFGH-UHFFFAOYSA-N
InChI
InChI=1S/C17H17FN2O4S/c1-17(2)16(21)20(13-7-4-11(18)5-8-13)14-9-6-12(10-15(14)24-17)19-25(3,22)23/h4-10,19H,1-3H3
IUPAC Name
N-[4-(4-fluorophenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]methanesulfonamide
SMILES
CC1(C)OC2=CC(NS(C)(=O)=O)=CC=C2N(C2=CC=C(F)C=C2)C1=O

References

General References
Not Available
ChemSpider
28663572
BindingDB
50004519
ChEMBL
CHEMBL2181929
ZINC
ZINC000095573844
Wikipedia
Apararenone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDiabetic Nephropathy4
2CompletedTreatmentNash1
1CompletedOtherHealthy Volunteers (HV)1
1CompletedScreeningHealthy Volunteers (HV)1
1, 2CompletedTreatmentDiabetic Nephropathy2

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 Solubility0.0354 mg/mLALOGPS
logP3.11ALOGPS
logP1.79Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)9.2Chemaxon
pKa (Strongest Basic)-5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area75.71 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity89.83 m3·mol-1Chemaxon
Polarizability35.88 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-014i-0009000000-cf8985b30ad144399924
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-9799f3f8f79054158fec
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014r-0097000000-73bad51ff9553920fde3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0039000000-edc0dd92d7107386d8b2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gb9-1090000000-c204eb39a14bae827512
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014l-5291000000-77d69af9d111dfd6637e
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 14:43 / Updated at February 21, 2021 18:55