NAV

Elamipretide

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
Similar Structures
Weight
Average: 639.802
Monoisotopic: 639.385665714
Chemical Formula
C32H49N9O5
Synonyms
  • Elamipretide
External IDs
  • MTP-131
  • RX-31
  • SS-31
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Pharmacology

Indication

Not Available

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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
Elamipretide hydrochlorideE40WZ3BK2D2244098-12-0NGOPFUMILSNWHH-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
PubChem Compound
11764719
PubChem Substance
347828303
ChemSpider
9939410
ChEMBL
CHEMBL3833370
ZINC
ZINC000043130902
Wikipedia
Elamipretide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentMitochondrial Complex I Deficiency / Mitochondrial Depletion Syndrome / Mitochondrial Disorders / Mitochondrial DNA deletion / Mitochondrial DNA mutation / Mitochondrial Metabolism Defect / Mitochondrial Myopathies / Mitochondrial Pathology1
3TerminatedTreatmentPrimary Mitochondrial Myopathy1
2CompletedTreatmentAge - Related Macular Degeneration (AMD)1
2CompletedTreatmentChronic Heart Failure (CHF)1
2CompletedTreatmentHeart Failure2

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 Solubility0.0155 mg/mLALOGPS
logP-0.12ALOGPS
logP-0.51Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)9.62Chemaxon
pKa (Strongest Basic)11.84Chemaxon
Physiological Charge3Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count10Chemaxon
Polar Surface Area264.56 Å2Chemaxon
Rotatable Bond Count19Chemaxon
Refractivity186.25 m3·mol-1Chemaxon
Polarizability69.74 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-006x-0101039000-54b6d167261cc0cd8eb4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ds-1004049000-a09b761350acfcf6ab13
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03k9-1323297000-373c3afa2bb0ab80baad
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fdo-9515327000-132895dc376d5d8aa366
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-002f-9765840000-88e34ac2dd227c5d95d4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02mi-4941250000-53fcb4a2b2afc1bce244
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-265.3027333
predicted
DarkChem Lite v0.1.0
[M-H]-237.29521
predicted
DeepCCS 1.0 (2019)
[M+H]+265.0870333
predicted
DarkChem Lite v0.1.0
[M+H]+239.15062
predicted
DeepCCS 1.0 (2019)
[M+Na]+265.0346333
predicted
DarkChem Lite v0.1.0
[M+Na]+244.89104
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:08 / Updated at September 28, 2023 05:48