Apararenone
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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
- Weight
- Average: 364.39
Monoisotopic: 364.089306372 - Chemical Formula
- C17H17FN2O4S
- Synonyms
- Apararenone
- External IDs
- MT-3995
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 28663572
- BindingDB
- 50004519
- ChEMBL
- CHEMBL2181929
- ZINC
- ZINC000095573844
- Wikipedia
- Apararenone
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Diabetic Nephropathy 4 2 Completed Treatment Non-Alcoholic Steatohepatitis (NASH) 1 1 Completed Other Healthy Volunteers (HV) 1 1 Completed Screening Healthy Volunteers (HV) 1 1, 2 Completed Treatment Diabetic Nephropathy 2
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
Property Value Source Water Solubility 0.0354 mg/mL ALOGPS logP 3.11 ALOGPS logP 1.79 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 9.2 Chemaxon pKa (Strongest Basic) -5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 75.71 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 89.83 m3·mol-1 Chemaxon Polarizability 35.88 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0009000000-cf8985b30ad144399924 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-9799f3f8f79054158fec Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014r-0097000000-73bad51ff9553920fde3 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0039000000-edc0dd92d7107386d8b2 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0gb9-1090000000-c204eb39a14bae827512 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014l-5291000000-77d69af9d111dfd6637e Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:43 / Updated at February 21, 2021 18:55