Ibutamoren

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

Identification

Generic Name
Ibutamoren
DrugBank Accession Number
DB18214
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 528.67
Monoisotopic: 528.240641449
Chemical Formula
C27H36N4O5S
Synonyms
  • 2-amino-n-((r)-2-(benzyloxy)-1-((1-(methylsulfonyl)spiro(indoline-3,4'-piperidin)-1'-yl)carbonyl)ethyl)-2-methylpropionamide
  • 2-amino-n-(3-(benzyloxy)-1-(1-methanesulfonyl-1,2-dihydrospiro(indole-3,4'-piperidin)-1'-yl)-1-oxopropan-2-yl)-2-methylpropanamide
External IDs
  • L-163,191

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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Ibutamoren mesylateR90JB6QJ2B159752-10-0DUGMCDWNXXFHDE-VZYDHVRKSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
GJ0EGN38UL
CAS number
159634-47-6
InChI Key
UMUPQWIGCOZEOY-JOCHJYFZSA-N
InChI
InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
IUPAC Name
2-amino-N-[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-dihydrospiro[indole-3,4'-piperidin]-1'-yl}-1-oxopropan-2-yl]-2-methylpropanamide
SMILES
CC(C)(N)C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N1CCC2(CN(C3=CC=CC=C23)S(C)(=O)=O)CC1

References

General References
Not Available
ChemSpider
154975
BindingDB
50049478
RxNav
1805438
ChEMBL
CHEMBL13817
ZINC
ZINC000001543181
PDBe Ligand
1KD
Wikipedia
Ibutamoren
PDB Entries
7na8

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAlzheimer's Disease (AD)1
2CompletedTreatmentFibromyalgia1
2RecruitingTreatment(NAFLD) / Non Alcoholic Steatohepatitis (NASH) / Nonalcoholic Fatty Liver1
2TerminatedTreatmentHip Fracture1
2WithdrawnSupportive CareChronic Kidney Disease (CKD) / Kidney Diseases1

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
logP0.68Chemaxon
pKa (Strongest Acidic)11.89Chemaxon
pKa (Strongest Basic)8.34Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area122.04 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity141.39 m3·mol-1Chemaxon
Polarizability56.61 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 13, 2023 21:19 / Updated at September 28, 2023 05:48