Tridecactide

Identification

Name
Tridecactide
Accession Number
DB15687
Description

Tridecactide, also known as alpha-corticotropin 1-13, is a deacetylated and deaminated alpha-melanocyte stimulating hormone, which may have antipyretic, anti-inflammatory, and antimicrobial effects.1 Tridecactide, along with metenkefalin, are under investigation as an immunomodulatory therapy for moderate to severe COVID-19.2,3

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 1623.85
Monoisotopic: 1622.766382447
Chemical Formula
C75H106N20O19S
Synonyms
  • alpha-1-13-corticotropin, human
  • Tridecactide

Pharmacology

Indication
Not Available
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
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
No interactions found.

Products

Categories

Drug Categories
Classification
Not classified

Chemical Identifiers

UNII
T7PQK27HTI
CAS number
22006-64-0
InChI Key
VGBVAARMQYYITG-DESRROFGSA-N
InChI
InChI=1S/C75H106N20O19S/c1-41(2)62(74(113)114)94-72(111)59-19-12-29-95(59)73(112)53(17-9-10-27-76)85-60(99)37-83-64(103)56(33-44-35-82-49-16-8-7-15-47(44)49)91-65(104)50(18-11-28-81-75(78)79)86-68(107)55(31-42-13-5-4-6-14-42)90-70(109)57(34-45-36-80-40-84-45)92-66(105)51(24-25-61(100)101)87-67(106)52(26-30-115-3)88-71(110)58(39-97)93-69(108)54(89-63(102)48(77)38-96)32-43-20-22-46(98)23-21-43/h4-8,13-16,20-23,35-36,40-41,48,50-59,62,82,96-98H,9-12,17-19,24-34,37-39,76-77H2,1-3H3,(H,80,84)(H,83,103)(H,85,99)(H,86,107)(H,87,106)(H,88,110)(H,89,102)(H,90,109)(H,91,104)(H,92,105)(H,93,108)(H,94,111)(H,100,101)(H,113,114)(H4,78,79,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
IUPAC Name
(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}methyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]butanoic acid
SMILES
CSCC[[email protected]](NC(=O)[[email protected]](CO)NC(=O)[[email protected]](CC1=CC=C(O)C=C1)NC(=O)[[email protected]@H](N)CO)C(=O)N[[email protected]@H](CCC(O)=O)C(=O)N[[email protected]@H](CC1=CN=CN1)C(=O)N[[email protected]@H](CC1=CC=CC=C1)C(=O)N[[email protected]@H](CCCNC(N)=N)C(=O)N[[email protected]@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[[email protected]@H](CCCCN)C(=O)N1CCC[[email protected]]1C(=O)N[[email protected]@H](C(C)C)C(O)=O

References

General References
  1. Rakanovic-Todic M, Ibrulj S, Brunazovic-Ristic L, Catovic A, Aganovic-Musinovic I, Kusturica J: Cytogenetic effects of combination of tridecactide and met-enkephalin on lymphocytes of patients with multiple sclerosis Journal of Health Sciences. 2014 Apr 6;5(1):5-10.
  2. NIH: Clinical Trial to Evaluate the Efficacy and Safety of an Immunomodulatory Therapy for the Treatment of Patients With Moderate to Severe COVID-19 Infection (NCT04374032) [Link]
  3. Bosna Lijek: Enkorten Metenkefalin and Tridecactide Injection [Link]
ChemSpider
17287850

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2, 3Active Not RecruitingTreatmentCovid-19 Infection / Novel Coronavirus Infectious Disease (COVID-19)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
PropertyValueSource
Water Solubility0.0266 mg/mLALOGPS
logP-2.4ALOGPS
logP-9.3ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)3.17ChemAxon
pKa (Strongest Basic)11.91ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count25ChemAxon
Hydrogen Donor Count23ChemAxon
Polar Surface Area634.11 Å2ChemAxon
Rotatable Bond Count49ChemAxon
Refractivity426.45 m3·mol-1ChemAxon
Polarizability166.12 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on May 19, 2020 17:02 / Updated on June 12, 2020 10:53

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