NAV

Anamorelin

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

Identification

Generic Name
Anamorelin
DrugBank Accession Number
DB06645
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 546.716
Monoisotopic: 546.331839236
Chemical Formula
C31H42N6O3
Synonyms
  • Anamorelin
External IDs
  • ONO-7643
  • RC-1291
  • ST-1291
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Pharmacology

Indication

Investigated for use/treatment in cachexia and anorexia.

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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Anamorelin Hydrochloride55F75LJQ0V861998-00-7VFYAEUWJFGTGGO-GHTUPXNNSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Dipeptides
Alternative Parents
3-benzylpiperidines / N-acyl-alpha amino acids and derivatives / Tryptamines and derivatives / Alpha amino acid amides / 3-alkylindoles / Piperidinecarboxamides / N-acylpiperidines / Substituted pyrroles / Benzene and substituted derivatives / Heteroaromatic compounds
show 8 more
Substituents
3-alkylindole / 3-benzylpiperidine / 3-piperidinecarboxamide / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-dipeptide / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle
show 27 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
DD5RBA1NKF
CAS number
249921-19-5
InChI Key
VQPFSIRUEPQQPP-MXBOTTGLSA-N
InChI
InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1
IUPAC Name
2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-(N,N',N'-trimethylhydrazinecarbonyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILES
CN(C)N(C)C(=O)[C@@]1(CC2=CC=CC=C2)CCCN(C1)C(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)C(C)(C)N

References

General References
Not Available
ChemSpider
8004650
ChEMBL
CHEMBL2110579
ZINC
ZINC000043130908
Wikipedia
Anamorelin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentCachexia / Non-Small Cell Lung Cancer (NSCLC)3
3CompletedTreatmentCancer Cachexia (CC) / Non-Small Cell Lung Cancer (NSCLC)2
2Active Not RecruitingSupportive CareAdvanced Malignant Solid Tumor / C-Reactive Protein Measurement / Cancer Fatigue / Metastatic Malignant Solid Neoplasms / Recurrent Malignant Solid Neoplasm / Weight Loss1
2CompletedNot AvailableCancer Cachexia (CC)1
2CompletedTreatmentCancer Cachexia (CC)2

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 Solubility0.0103 mg/mLALOGPS
logP2.86ALOGPS
logP2.36Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)12.7Chemaxon
pKa (Strongest Basic)8.34Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area114.77 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity157.07 m3·mol-1Chemaxon
Polarizability61.1 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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0000390000-1578316c4e21f3f4fc63
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0001590000-6c4541a975439a92025d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6t-3201970000-deb4addaa5e5df9ed7d2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pbc-7400910000-07852ac090f92ac5c771
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4m-2911310000-decd6f27c893293f4371
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05ic-0914200000-870ad1c2cd8ba5ab9742
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-242.3144167
predicted
DarkChem Lite v0.1.0
[M-H]-222.27121
predicted
DeepCCS 1.0 (2019)
[M+H]+243.6694167
predicted
DarkChem Lite v0.1.0
[M+H]+224.12335
predicted
DeepCCS 1.0 (2019)
[M+Na]+242.5660167
predicted
DarkChem Lite v0.1.0
[M+Na]+229.72917
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:43 / Updated at February 21, 2021 18:52