Methallenestril

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

Identification

Name
Methallenestril
Accession Number
DB13143
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • b-ethyl-6-methoxy-a,a-dimethyl-2-naphthalenepropionic acid
International/Other Brands
Vallestril
Categories
UNII
XL025389JS
CAS number
517-18-0
Weight
Average: 286.371
Monoisotopic: 286.156894568
Chemical Formula
C18H22O3
InChI Key
KHLJKRBMZVNZOC-MRXNPFEDSA-N
InChI
InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)/t16-/m1/s1
IUPAC Name
(3R)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
SMILES
CC[C@H](C1=CC=C2C=C(OC)C=CC2=C1)C(C)(C)C(O)=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
16-BromoepiandrosteroneThe serum concentration of 16-Bromoepiandrosterone can be increased when it is combined with Methallenestril.
19-norandrostenedioneThe serum concentration of 19-norandrostenedione can be increased when it is combined with Methallenestril.
5-androstenedioneThe serum concentration of 5-androstenedione can be increased when it is combined with Methallenestril.
AceclofenacAceclofenac may increase the thrombogenic activities of Methallenestril.
AldosteroneThe serum concentration of Aldosterone can be increased when it is combined with Methallenestril.
AlemtuzumabMethallenestril may increase the thrombogenic activities of Alemtuzumab.
Ambroxol acefyllinateThe serum concentration of Ambroxol acefyllinate can be increased when it is combined with Methallenestril.
AminophyllineThe serum concentration of Aminophylline can be increased when it is combined with Methallenestril.
AnastrozoleThe therapeutic efficacy of Anastrozole can be decreased when used in combination with Methallenestril.
AndrostenedioneThe serum concentration of Androstenedione can be increased when it is combined with Methallenestril.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
59084697
PubChem Substance
347829260
ChemSpider
34995295
Wikipedia
Methallenestril
ATC Codes
G03CC03 — MethallenestrilG03CB03 — Methallenestril

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00102 mg/mLALOGPS
logP4.69ALOGPS
logP4.72ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)4.53ChemAxon
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area46.53 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity83.11 m3·mol-1ChemAxon
Polarizability32.23 Å3ChemAxon
Number of Rings2ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Not Available
Direct Parent
Naphthalenes
Alternative Parents
Anisoles / Alkyl aryl ethers / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Naphthalene / Phenol ether / Anisole / Alkyl aryl ether / Monocarboxylic acid or derivatives / Ether / Carboxylic acid / Carboxylic acid derivative / Organic oxygen compound / Organic oxide
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on November 04, 2016 15:36 / Updated on October 01, 2018 15:26