NAV

Deslorelin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Deslorelin
DrugBank Accession Number
DB11510
Background

Deslorelin acetate is an injectable gonadotropin releasing hormone super-agonist also known as an LHRH agonist. It stops the production of sex hormones.

Type
Small Molecule
Groups
Investigational, Vet approved
Structure
Similar Structures
Weight
Average: 1282.475
Monoisotopic: 1281.640711181
Chemical Formula
C64H83N17O12
Synonyms
  • Deslorelin
  • Deslorelina
  • Desloreline
  • Deslorelinum
External IDs
  • H 4065
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
Capromab pendetideDeslorelin may decrease effectiveness of Capromab pendetide as a diagnostic agent.
Choline C 11Deslorelin may decrease effectiveness of Choline C 11 as a diagnostic agent.
Corifollitropin alfaThe therapeutic efficacy of Corifollitropin alfa can be increased when used in combination with Deslorelin.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Deslorelin acetate679007NR5C82318-06-7LYCYLGFSIXIXAB-NUZRHMIVSA-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 / Histidine and derivatives / Leucine and derivatives / N-acyl-alpha amino acids and derivatives / Proline and derivatives / Tryptamines and derivatives / Serine and derivatives / Alpha amino acid amides / Amphetamines and derivatives
show 21 more
Substituents
1-hydroxy-2-unsubstituted benzenoid / 2-pyrrolidone / 3-alkylindole / Alcohol / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amphetamine or derivatives / Aromatic heteropolycyclic compound / Azacycle
show 45 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
TKG3I66TVE
CAS number
57773-65-6
InChI Key
GJKXGJCSJWBJEZ-XRSSZCMZSA-N
InChI
InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1
IUPAC Name
(2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
SMILES
[H][C@]1(CCC(=O)N1)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC

References

General References
  1. Wood GC, Dass C, Iyer MR, Fleischner AM, Sheth BB: Stability of deslorelin injection. PDA J Pharm Sci Technol. 1997 Sep-Oct;51(5):176-80. [Article]
  2. Underhill L, Rhodes RC 3rd, Rhodes CT: Storage conditions for serum deslorelin. Drug Dev Ind Pharm. 1999 Sep;25(9):1041-4. [Article]
  3. Novotny R, Cizek P, Vitasek R, Bartoskova A, Prinosilova P, Janosovska M: Reversible suppression of sexual activity in tomcats with deslorelin implant. Theriogenology. 2012 Sep 1;78(4):848-57. doi: 10.1016/j.theriogenology.2012.03.035. Epub 2012 May 11. [Article]
  4. Malik R, Howe P, Hollinshead F: Deslorelin implants - a new choice in feline reproductive medicine. J Feline Med Surg. 2011 Nov;13(11):874-5. doi: 10.1016/j.jfms.2011.09.008. [Article]
  5. Authors unspecified: Deslorelin. D-Trp-LHRH-PEA, LHRH agonist analogue, Somagard. Drugs R D. 1999 Dec;2(6):420-2. [Article]
  6. Palm J, Reichler IM: [The use of deslorelin acetate (Suprelorin(R)) in companion animal medicine]. Schweiz Arch Tierheilkd. 2012 Jan;154(1):7-12. doi: 10.1024/0036-7281/a000286. [Article]
  7. Dani BA, Kompella UB: Inhibition of corneal metabolism of deslorelin by EDTA and ZnCl2. Drug Dev Ind Pharm. 1998 Jan;24(1):11-7. [Article]
  8. Nagao JF, Neves Neto JR, Papa FO, Alvarenga MA, Freitas-Dell'Aqua CP, Dell'Aqua JA: Induction of double ovulation in mares using deslorelin acetate. Anim Reprod Sci. 2012 Dec;136(1-2):69-73. doi: 10.1016/j.anireprosci.2012.10.015. Epub 2012 Nov 1. [Article]
  9. Schuetzenhofer G, Goericke-Pesch S, Wehrend A: Effects of deslorelin implants on ovarian cysts in guinea pigs. Schweiz Arch Tierheilkd. 2011 Sep;153(9):416-7. doi: 10.1024/0036-7281/a000235. [Article]
  10. McKinnon AO, Nobelius AM, del Marmol Figueroa ST, Skidmore J, Vasey JR, Trigg TE: Predictable ovulation in mares treated with an implant of the GnRH analogue deslorelin. Equine Vet J. 1993 Jul;25(4):321-3. [Article]
ChemSpider
16736553
BindingDB
84726
RxNav
1311744
ChEMBL
CHEMBL2365665
Wikipedia
Deslorelin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingPreventionBrca1 Mutation Carrier / Brca2 Mutation Carrier / Breast Cancer1
2CompletedTreatmentDwarfism / Growth Disorders1
2CompletedTreatmentPuberty, Precocious1

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 Solubility0.0311 mg/mLALOGPS
logP1.65ALOGPS
logP-1.9Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)9.49Chemaxon
pKa (Strongest Basic)11.54Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count16Chemaxon
Hydrogen Donor Count17Chemaxon
Polar Surface Area444.83 Å2Chemaxon
Rotatable Bond Count32Chemaxon
Refractivity349.27 m3·mol-1Chemaxon
Polarizability132.52 Å3Chemaxon
Number of Rings8Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-01qi-0390000000-19ce708ff363bbcd2dae
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-2490100000-5241a23fcebd4678d356
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-053s-3190000001-d85b89b99173c6542ce5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dr-1390000000-f5c8d7b1e2db649bdd24
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0c0r-3940510001-0621820f37640f2f0579
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0m0m-2982101165-86626aeb6dbdebdff7be
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-317.37402
predicted
DeepCCS 1.0 (2019)
[M+H]+319.09775
predicted
DeepCCS 1.0 (2019)
[M+Na]+325.42667
predicted
DeepCCS 1.0 (2019)

Drug created at February 26, 2016 17:28 / Updated at February 21, 2021 18:53