Elamipretide

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
Elamipretide
Accession Number
DB11981
Type
Small Molecule
Groups
Investigational
Description

Elamipretide has been used in trials studying the treatment of Leber's Hereditary Optic Neuropathy.

Structure
Thumb
Synonyms
Not Available
External IDs
MTP-131 / RX-31 / SS-31
Categories
UNII
87GWG91S09
CAS number
736992-21-5
Weight
Average: 639.802
Monoisotopic: 639.385665714
Chemical Formula
C32H49N9O5
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

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
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

References

General References
Not Available
External Links
PubChem Compound
11764719
PubChem Substance
347828303
ChemSpider
9939410
ChEMBL
CHEMBL3833370
Wikipedia
Elamipretide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentAge-Related Macular Degeneration (ARMD)1
1CompletedBasic ScienceHealthy Volunteers1
1CompletedBasic ScienceNormal and Impaired Renal Function1
1CompletedTreatmentCongestive Heart Failure (CHF)1
1CompletedTreatmentHealthy Volunteers1
1WithdrawnTreatmentHeart Failure1
1, 2CompletedTreatmentAge-Related Macular Degeneration (ARMD) / Diabetic Macular Edema (DME)1
1, 2CompletedTreatmentFuchs' Corneal Endothelial Dystrophy (FCED)1
1, 2CompletedTreatmentMitochondrial Myopathies1
1, 2TerminatedBasic ScienceIschemia Reperfusion Injury / Renal Artery Obstruction / Renovascular Hypertension1
2Active Not RecruitingTreatmentLeber's Hereditary Optic Neuropathy (LHON)1
2Active Not RecruitingTreatmentPrimary Mitochondrial Disease1
2CompletedTreatmentChronic Heart Failure (CHF)1
2CompletedTreatmentHeart Failure2
2CompletedTreatmentPrimary Mitochondrial Disease1
2CompletedTreatmentReperfusion Injury / ST Elevation Myocardial Infarction (STEMI)1
2CompletedTreatmentSkeletal Muscle Mitochondrial Dysfunction in the Elderly1
2RecruitingTreatmentAge-Related Macular Degeneration (ARMD)1
2, 3Active Not RecruitingTreatmentBarth Syndrome1
3Active Not RecruitingTreatmentPrimary Mitochondrial Myopathy1

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
Polarizability69.42 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/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 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
Alpha-oligopeptide / Tyrosine or derivatives / Phenylalanine or derivatives / N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / N-substituted-alpha-amino acid / Alpha-amino acid or derivatives / Amphetamine or derivatives / M-cresol / Xylene
show 28 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:08 / Updated on September 02, 2019 19:34