Enobosarm

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

Identification

Name
Enobosarm
Accession Number
DB12078
Type
Small Molecule
Groups
Investigational
Description

Enobosarm has been used in trials studying the treatment of Stress Urinary Incontinence and Triple Negative Breast Cancer.

Structure
Thumb
Synonyms
  • Ostarine
External IDs
GTX 024 / GTX-024 / MK-2866
Categories
Not Available
UNII
O3571H3R8N
CAS number
841205-47-8
Weight
Average: 389.328
Monoisotopic: 389.098725944
Chemical Formula
C19H14F3N3O3
InChI Key
JNGVJMBLXIUVRD-SFHVURJKSA-N
InChI
InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1
IUPAC Name
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanimidic acid
SMILES
C[C@](O)(COC1=CC=C(C=C1)C#N)C(O)=NC1=CC(=C(C=C1)C#N)C(F)(F)F

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D10221
PubChem Compound
11326715
PubChem Substance
347828384
ChemSpider
9501667
ChEMBL
CHEMBL1738889
HET
RLJ
Wikipedia
Enobosarm
PDB Entries
3rlj

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentMammographic Density1
2Active Not RecruitingTreatmentER+ and AR+ Breast Cancer1
2CompletedSupportive CareCachexia1
2CompletedTreatmentER+ and AR+ Breast Cancer1
2CompletedTreatmentMetastatic Breast Cancer (MBC)1
2CompletedTreatmentStress Urinary Incontinence (SUI)2
2RecruitingTreatmentAndrogen Receptor Positive / Estrogen Receptor Negative / HER2/Neu Negative / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Stage III Breast Cancer / Stage IIIA Breast Cancer / Stage IIIB Breast Cancer / Stage IIIC Breast Cancer / Stage IV Breast Cancer / Triple-Negative Breast Carcinoma1
2TerminatedTreatmentStress Urinary Incontinence (SUI)2
2TerminatedTreatmentTriple Negative Breast Cancer (TNBC)1
3CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Muscle Wasting2

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 Solubility0.00432 mg/mLALOGPS
logP2.62ALOGPS
logP4ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)3.53ChemAxon
pKa (Strongest Basic)0.36ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area109.63 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity95.81 m3·mol-1ChemAxon
Polarizability35.81 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 trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Trifluoromethylbenzenes
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Anilides / Phenoxy compounds / Phenol ethers / N-arylamides / Benzonitriles / Alkyl aryl ethers / Tertiary alcohols / Secondary carboxylic acid amides / Nitriles / Organopnictogen compounds
show 5 more
Substituents
Trifluoromethylbenzene / Anilide / Phenoxy compound / Benzonitrile / N-arylamide / Phenol ether / Alkyl aryl ether / Tertiary alcohol / Carboxamide group / Secondary carboxylic acid amide
show 18 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:18 / Updated on November 02, 2018 07:19