Pentetreotide

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

Identification

Summary

Pentetreotide is a somatostatin receptor inhibitor, available in a kit with Indium-111, used as a contrast agent in the visualization of somatostatin receptor-positive neuroendocrine tumours.

Generic Name
Pentetreotide
DrugBank Accession Number
DB12602
Background

Pentetreotide has been used in trials studying the diagnosis of Cushing's syndrome.

Type
Small Molecule
Groups
Approved, Investigational
Structure
Weight
Average: 1394.58
Monoisotopic: 1393.568259981
Chemical Formula
C63H87N13O19S2
Synonyms
  • Pentetreotida
  • Pentetreotide
External IDs
  • SDZ 215-811
  • SDZ 215-811S

Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used as adjunct in combination to manageCarcinoid tumorsCombination Product in combination with: Indium In-111 (DB11916)••••••••••••••••••• •••••••••• •••••••••••• ••••••••••••••••••
Used in combination as diagnostic agentCarcinoid tumorsCombination Product in combination with: Indium In-111 (DB11916)••••••••••••••••••• •••••••••• •••••••••••• ••••••••••••••••••
Used as adjunct in combination to manageGastroenteropancreatic neuroendocrine tumors (gep-nets)Combination Product in combination with: Indium In-111 (DB11916)••••••••••••••••••• •••••••••• •••••••••••• ••••••••••••••••••
Used in combination as diagnostic agentGastroenteropancreatic neuroendocrine tumors (gep-nets)Combination Product in combination with: Indium In-111 (DB11916)••••••••••••••••••• •••••••••• •••••••••••• ••••••••••••••••••
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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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
OctreoScan - Pulver zur Herstellung einer InjektionslösungPentetreotide (10 mcg) + Indium In-111 chloride (111 MBq/ml)Injection, powder, for solutionIntravenousCurium Netherlands B.V.1999-07-15Not applicableAustria flag
OCTREOSCAN FOR INJECTIONPentetreotide (10 mcg) + Indium In-111 chloride (122 MBq/1.1ml)Injection, powder, for solutionIntravenousQT INSTRUMENTS (S) PTE LTD1999-12-16Not applicableSingapore flag
OCTREOSCAN INJECTIONPentetreotide (10 mcg) + Indium In-111 (122 MBq/1.1ml)InjectionIntravenousQUANTARAD TECHNOLOGIES SDN BHD2020-09-082024-02-24Malaysia flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as peptoid-peptide hybrids. These are compounds containing a peptoid-peptide backbone, which consists alternating amino acid and n-substituted amino acids linked to each other by a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Peptidomimetics
Sub Class
Peptoid-peptide hybrids
Direct Parent
Peptoid-peptide hybrids
Alternative Parents
Phenylalanine and derivatives / Macrolactams / N-acyl-alpha amino acids and derivatives / Tetracarboxylic acids and derivatives / Alpha amino acid amides / Alpha amino acids / 3-alkylindoles / Amphetamines and derivatives / Substituted pyrroles / Fatty amides
show 15 more
Substituents
3-alkylindole / Alcohol / Alpha-amino acid / Alpha-amino acid amide / Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Amphetamine or derivatives / Aromatic heteropolycyclic compound
show 37 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
G083B71P98
CAS number
138661-02-6
InChI Key
CNLWNYCFDMAZCB-HUVROIHYSA-N
InChI
InChI=1S/C63H87N13O19S2/c1-37(78)48(34-77)70-62(94)50-36-97-96-35-49(71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88)61(93)68-46(26-40-15-7-4-8-16-40)59(91)69-47(27-41-28-65-43-18-10-9-17-42(41)43)60(92)67-44(19-11-12-20-64)57(89)73-56(38(2)79)63(95)72-50/h3-10,13-18,28,37-38,44-50,56,65,77-79H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t37-,38-,44+,45-,46+,47-,48-,49+,50+,56+/m1/s1
IUPAC Name
2-{[2-({2-[({[(1R)-1-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)ethyl](carboxymethyl)amino}acetic acid
SMILES
C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

References

General References
Not Available
PubChem Compound
72128
PubChem Substance
347828819
ChemSpider
65105
RxNav
69893

Clinical Trials

Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package
PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
2CompletedDiagnosticCushing's Syndrome / Endocrine Diseases1somestatusstop reasonjust information to hide

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, powder, for solutionIntravenous
InjectionIntravenous
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0382 mg/mLALOGPS
logP-1ALOGPS
logP-9Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)1.09Chemaxon
pKa (Strongest Basic)10.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count23Chemaxon
Hydrogen Donor Count17Chemaxon
Polar Surface Area494.22 Å2Chemaxon
Rotatable Bond Count34Chemaxon
Refractivity353.02 m3·mol-1Chemaxon
Polarizability140.9 Å3Chemaxon
Number of Rings5Chemaxon
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/MSsplash10-002f-0019010000-56ccbc6454ff87a100cf
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0139010000-56744f0cf0cf6acb7631
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004j-2059200010-219ee1ff9d443e644d6e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-1029000010-41ed23e0718bf597dcf7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q9-1941000000-fc1a8b6a63dadc3c4ec3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01s9-1948720000-3450aa317a641aad3b00
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-340.90448
predicted
DeepCCS 1.0 (2019)
[M+H]+342.55768
predicted
DeepCCS 1.0 (2019)
[M+Na]+348.7145
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:09 / Updated at June 08, 2021 11:32