Relamorelin

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
Relamorelin
Accession Number
DB12678
Type
Small Molecule
Groups
Investigational
Description

Relamorelin has been investigated for the treatment and basic science of Gastroparesis, Gastric Motility, Diabetes Mellitus, Parkinson's Disease, and Chronic Constipation, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
BIM-28131 / BIM28131
Categories
UNII
BIW199E18V
CAS number
661472-41-9
Weight
Average: 790.98
Monoisotopic: 790.362487916
Chemical Formula
C43H50N8O5S
InChI Key
KUBPNVYPKPWGRJ-LIVOIKKVSA-N
InChI
InChI=1S/C43H50N8O5S/c44-42(56)43(16-20-46-21-17-43)51-41(55)34(22-27-8-2-1-3-9-27)49-39(53)35(23-29-25-47-33-12-6-4-10-31(29)33)50-40(54)36(48-38(52)28-14-18-45-19-15-28)24-30-26-57-37-13-7-5-11-32(30)37/h1-13,25-26,28,34-36,45-47H,14-24H2,(H2,44,56)(H,48,52)(H,49,53)(H,50,54)(H,51,55)/t34-,35+,36+/m0/s1
IUPAC Name
4-[(2S)-2-[(2R)-2-[(2R)-3-(1-benzothiophen-3-yl)-2-[(piperidin-4-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]piperidine-4-carboxamide
SMILES
NC(=O)C1(CCNCC1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H](CC1=CSC2=CC=CC=C12)NC(=O)C1CCNCC1

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
PubChem Compound
44251769
PubChem Substance
347828882
ChemSpider
32699203
Wikipedia
Relamorelin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceGastric Motility1
1CompletedTreatmentChronic Constipation1
2CompletedTreatmentDiabetes Mellitus (DM) / Diabetes Mellitus Complications / Gastroparesis1
2TerminatedTreatmentParkinson's Disease (PD)1
3Enrolling by InvitationTreatmentDiabetes Mellitus (DM) / Gastroparesis1
3RecruitingTreatmentDiabetes Mellitus (DM) / Gastroparesis3
3RecruitingTreatmentGastroparesis1

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 Solubility0.00126 mg/mLALOGPS
logP2.82ALOGPS
logP2.17ChemAxon
logS-5.8ALOGPS
pKa (Strongest Acidic)11.85ChemAxon
pKa (Strongest Basic)10.31ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area199.34 Å2ChemAxon
Rotatable Bond Count15ChemAxon
Refractivity218.07 m3·mol-1ChemAxon
Polarizability84.58 Å3ChemAxon
Number of Rings7ChemAxon
Bioavailability0ChemAxon
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 hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Peptidomimetics
Sub Class
Hybrid peptides
Direct Parent
Hybrid peptides
Alternative Parents
Phenylalanine and derivatives / N-acyl-alpha amino acids and derivatives / Tryptamines and derivatives / Alpha amino acid amides / 3-alkylindoles / Amphetamines and derivatives / 1-benzothiophenes / Piperidinecarboxamides / Substituted pyrroles / Fatty amides
show 10 more
Substituents
Hybrid peptide / Phenylalanine or derivatives / N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / Triptan / N-substituted-alpha-amino acid / Alpha-amino acid or derivatives / Amphetamine or derivatives / 3-alkylindole / 1-benzothiophene
show 32 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:34 / Updated on June 04, 2019 07:41