Anamorelin

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

Identification

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Name
Anamorelin
Accession Number
DB06645
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
ONO-7643 / RC-1291 / ST-1291
Product Ingredients
IngredientUNIICASInChI Key
Anamorelin Hydrochloride55F75LJQ0V861998-00-7VFYAEUWJFGTGGO-GHTUPXNNSA-N
Categories
UNII
DD5RBA1NKF
CAS number
249921-19-5
Weight
Average: 546.716
Monoisotopic: 546.331839236
Chemical Formula
C31H42N6O3
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

Pharmacology

Indication

Investigated for use/treatment in cachexia and anorexia.

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
ChemSpider
8004650
ChEMBL
CHEMBL2110579
Wikipedia
Anamorelin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCancer Cachexia1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2RecruitingSupportive CareCancer, Advanced / Malignant Neoplasms of Independent (Primary) Multiple Sites / Metastatic or Recurrent Incurable Solid Tumors1
2, 3RecruitingSupportive CareAnorexic / Lung Non-Small Cell Carcinoma / Non-Small Cell Lung Carcinoma (NSCLC) / Stage III Lung Cancer AJCC v8 / Stage IIIA Lung Cancer AJCC v8 / Stage IIIB Lung Cancer AJCC v8 / Stage IIIC Lung Cancer AJCC v8 / Stage IV Lung Cancer AJCC v8 / Stage IVA Lung Cancer AJCC v8 / Stage IVB Lung Cancer AJCC v81
3RecruitingTreatmentCachexia; Cancer / Lung Cancer Non-Small Cell Cancer (NSCLC) / Treatment of Malignancy Associated Weight Loss or Anorexia in Patients With NSCLC1

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/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 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
Alpha-dipeptide / N-acyl-alpha amino acid or derivatives / 3-benzylpiperidine / Benzylpiperidine / Alpha-amino acid amide / Triptan / Alpha-amino acid or derivatives / 3-alkylindole / Indole / Indole or derivatives
show 27 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on March 19, 2008 10:43 / Updated on June 04, 2019 06:26