NAV

Enobosarm

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

Identification

Generic Name
Enobosarm
DrugBank Accession Number
DB12078
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 389.328
Monoisotopic: 389.098725944
Chemical Formula
C19H14F3N3O3
Synonyms
  • Enobosarm
  • Énobosarm
  • Enobosarmum
  • Ostarine
External IDs
  • GTX 024
  • GTX-024
  • MK 2866
  • MK-2866
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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 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
Alcohol / Alkyl aryl ether / Alkyl fluoride / Alkyl halide / Anilide / Aromatic homomonocyclic compound / Benzonitrile / Carbonitrile / Carbonyl group / Carboxamide group
show 18 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
O3571H3R8N
CAS number
841205-47-8
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-methylpropanamide
SMILES
C[C@](O)(COC1=CC=C(C=C1)C#N)C(=O)NC1=CC=C(C#N)C(=C1)C(F)(F)F

References

General References
Not Available
KEGG Drug
D10221
PubChem Compound
11326715
PubChem Substance
347828384
ChemSpider
9501667
RxNav
2168587
ChEMBL
CHEMBL1738889
ZINC
ZINC000035793636
PDBe Ligand
RLJ
Wikipedia
Enobosarm
PDB Entries
3rlj

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentMuscular Disorders, Atrophic / Non-Small Cell Lung Cancer (NSCLC)2
3TerminatedTreatmentMetastatic Breast Cancer2
2CompletedSupportive CareCachexia1
2CompletedTreatmentAndrogen Receptor Positive / Estrogen Receptor Negative / HER2 negative / Metastatic Triple Negative Breast Cancers / Progesterone Receptor Negative / Stage IV Breast Cancer AJCC v6 and v71
2CompletedTreatmentER+ and AR+ Breast Cancer1

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 Solubility0.00563 mg/mLALOGPS
logP2.82ALOGPS
logP3.27Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)11.95Chemaxon
pKa (Strongest Basic)-4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area106.14 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity95.05 m3·mol-1Chemaxon
Polarizability35.87 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-MSsplash10-000l-4921000000-107caa8220291fa626fe
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dl-0079000000-ed09617ba8297ca052ad
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-2259000000-1d69f43cd14927443a54
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0190000000-7934f4a77d2ab0a38438
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-06ri-6879000000-7e6b5598250f401d1b68
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0915000000-f6d9d243af91fb0acc35
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-1910000000-8d9fecb889fb8fcaee15
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-179.77827
predicted
DeepCCS 1.0 (2019)
[M+H]+182.13628
predicted
DeepCCS 1.0 (2019)
[M+Na]+188.57864
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:18 / Updated at February 21, 2021 18:53