This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Elamipretide
- DrugBank Accession Number
- DB11981
- Background
Elamipretide has been used in trials studying the treatment of Leber's Hereditary Optic Neuropathy.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Elamipretide (DB11981)
- Weight
- Average: 639.802
Monoisotopic: 639.385665714 - Chemical Formula
- C32H49N9O5
- Synonyms
- Elamipretide
- External IDs
- MTP-131
- RX-31
- SS-31
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Elamipretide hydrochloride E40WZ3BK2D 2244098-12-0 NGOPFUMILSNWHH-QTSNMJAOSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Oligopeptides
- Alternative Parents
- Tyrosine and derivatives / Phenylalanine and derivatives / N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Amphetamines and derivatives / m-Xylenes / Meta cresols / 1-hydroxy-2-unsubstituted benzenoids / N-acyl amines / Secondary carboxylic acid amides show 9 more
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid or derivatives / Amphetamine or derivatives / Aromatic homomonocyclic compound / Benzenoid / Carbonyl group show 28 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 87GWG91S09
- CAS number
- 736992-21-5
- InChI Key
- SFVLTCAESLKEHH-WKAQUBQDSA-N
- InChI
- InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38)/t24-,25+,26+,27+/m1/s1
- IUPAC Name
- (2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxy-2,6-dimethylphenyl)propanamido]-N-[(1S)-1-carbamoyl-2-phenylethyl]hexanamide
- SMILES
- CC1=CC(O)=CC(C)=C1C[C@H](NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11764719
- PubChem Substance
- 347828303
- ChemSpider
- 9939410
- ChEMBL
- CHEMBL3833370
- ZINC
- ZINC000043130902
- Wikipedia
- Elamipretide
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Recruiting Treatment Mitochondrial Complex I Deficiency / Mitochondrial Depletion Syndrome / Mitochondrial Disorders / Mitochondrial DNA deletion / Mitochondrial DNA mutation / Mitochondrial Metabolism Defect / Mitochondrial Myopathies / Mitochondrial Pathology 1 3 Terminated Treatment Primary Mitochondrial Myopathy 1 2 Completed Treatment Age - Related Macular Degeneration (AMD) 1 2 Completed Treatment Chronic Heart Failure (CHF) 1 2 Completed Treatment Heart Failure 2 2 Completed Treatment Leber’s hereditary optic neuropathy 1 2 Completed Treatment Primary Mitochondrial Diseases 1 2 Completed Treatment Reperfusion Injury / ST Segment Elevation Myocardial Infarction (STEMI) 1 2 Completed Treatment Skeletal Muscle Mitochondrial Dysfunction in the Elderly 1 2 Terminated Treatment Primary Mitochondrial Diseases 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 0.0155 mg/mL ALOGPS logP -0.12 ALOGPS logP -0.51 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 9.62 Chemaxon pKa (Strongest Basic) 11.84 Chemaxon Physiological Charge 3 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 10 Chemaxon Polar Surface Area 264.56 Å2 Chemaxon Rotatable Bond Count 19 Chemaxon Refractivity 186.25 m3·mol-1 Chemaxon Polarizability 69.74 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 21:08 / Updated at September 12, 2023 18:32