This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Relamorelin
- DrugBank Accession Number
- DB12678
- Background
Relamorelin has been investigated for the treatment and basic science of Gastroparesis, Gastric Motility, Diabetes Mellitus, Parkinson's Disease, and Chronic Constipation, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Relamorelin (DB12678)
- Weight
- Average: 790.98
Monoisotopic: 790.362487916 - Chemical Formula
- C43H50N8O5S
- Synonyms
- Relamorelin
- External IDs
- BIM-28131
- BIM28131
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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 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
- 1-benzothiophene / 3-alkylindole / Alpha-amino acid amide / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Amphetamine or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid show 32 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- BIW199E18V
- CAS number
- 661472-41-9
- 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
References
- General References
- Not Available
- External Links
- PubChem Compound
- 44251769
- PubChem Substance
- 347828882
- ChemSpider
- 32699203
- Wikipedia
- Relamorelin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Coronavirus Disease 2019 (COVID‑19) / Diabetes Mellitus / Gastroparesis 3 3 Terminated Treatment Coronavirus Disease 2019 (COVID‑19) / Gastroparesis 1 3 Terminated Treatment Diabetes Mellitus / Gastroparesis 1 2 Completed Treatment Diabetes Mellitus / Diabetes Mellitus Complications / Gastroparesis 1 2 Terminated Treatment Parkinson's Disease (PD) 1
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
Property Value Source Water Solubility 0.00126 mg/mL ALOGPS logP 2.82 ALOGPS logP 2.17 Chemaxon logS -5.8 ALOGPS pKa (Strongest Acidic) 11.85 Chemaxon pKa (Strongest Basic) 10.31 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 199.34 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 218.07 m3·mol-1 Chemaxon Polarizability 84.58 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 262.70905 predictedDeepCCS 1.0 (2019) [M+H]+ 264.5784 predictedDeepCCS 1.0 (2019) [M+Na]+ 270.76172 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:34 / Updated at February 21, 2021 18:53