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
Structure for Pentetreotide (DB12602)
- 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
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Used as adjunct in combination to manage Carcinoid tumors Combination Product in combination with: Indium In-111 (DB11916) •••••••••••• ••••••• •••••••••• •••••••••••• ••••••••• ••••••••• Used in combination as diagnostic agent Carcinoid tumors Combination Product in combination with: Indium In-111 (DB11916) •••••••••••• ••••••• •••••••••• •••••••••••• ••••••••• ••••••••• Used as adjunct in combination to manage Gastroenteropancreatic neuroendocrine tumors (gep-nets) Combination Product in combination with: Indium In-111 (DB11916) •••••••••••• ••••••• •••••••••• •••••••••••• ••••••••• ••••••••• Used in combination as diagnostic agent Gastroenteropancreatic neuroendocrine tumors (gep-nets) Combination Product in combination with: Indium In-111 (DB11916) •••••••••••• ••••••• •••••••••• •••••••••••• ••••••••• ••••••••• - Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image OctreoScan - Pulver zur Herstellung einer Injektionslösung Pentetreotide (10 mcg) + Indium In-111 chloride (111 MBq/ml) Injection, powder, for solution Intravenous Curium Netherlands B.V. 1999-07-15 Not applicable Austria 
OCTREOSCAN FOR INJECTION Pentetreotide (10 mcg) + Indium In-111 chloride (122 MBq/1.1ml) Injection, powder, for solution Intravenous QT INSTRUMENTS (S) PTE LTD 1999-12-16 Not applicable Singapore 
Categories
- Drug Categories
- Acetates
- Acids, Acyclic
- Amines
- Amino Acids, Peptides, and Proteins
- Compounds used in a research, industrial, or household setting
- Diagnostic Uses of Chemicals
- Hormones
- Hormones, Hormone Substitutes, and Hormone Antagonists
- Hypothalamic Hormones
- Indicators and Reagents
- Laboratory Chemicals
- Nerve Tissue Proteins
- Neuropeptides
- Pancreatic Hormones
- Peptide Hormones
- Peptides
- Peptides, Cyclic
- Pituitary Hormone Release Inhibiting Hormones
- Polyamines
- Proteins
- Radiopharmaceuticals
- Terbium
- 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
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Diagnostic Cushing's Syndrome / Endocrine Diseases 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection, powder, for solution Intravenous Injection Intravenous - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0382 mg/mL ALOGPS logP -1 ALOGPS logP -9 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 1.09 Chemaxon pKa (Strongest Basic) 10.2 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 23 Chemaxon Hydrogen Donor Count 17 Chemaxon Polar Surface Area 494.22 Å2 Chemaxon Rotatable Bond Count 34 Chemaxon Refractivity 353.02 m3·mol-1 Chemaxon Polarizability 140.9 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 340.90448 predictedDeepCCS 1.0 (2019) [M+H]+ 342.55768 predictedDeepCCS 1.0 (2019) [M+Na]+ 348.7145 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:09 / Updated at June 08, 2021 11:32