NAV

Veldoreotide

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

Identification

Generic Name
Veldoreotide
DrugBank Accession Number
DB12777
Background

Somatoprim is under investigation for the treatment of Acromegaly.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1123.326
Monoisotopic: 1122.565086631
Chemical Formula
C60H74N12O10
Synonyms
Not Available
External IDs
  • DG-3173
  • DG3173
  • PTR 3173
  • PTR-3173
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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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Veldoreotide acetate9F2286627LNot AvailableNot applicable

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
Macrolactams / 3-alkylindoles / Alpha amino acids and derivatives / Substituted pyrroles / Benzene and substituted derivatives / Tertiary carboxylic acid amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Secondary alcohols / Primary carboxylic acid amides
show 6 more
Substituents
3-alkylindole / Alcohol / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
1Z83587HBN
CAS number
252845-37-7
InChI Key
ABFNTRQPWNXUHA-VEVJRHMJSA-N
InChI
InChI=1S/C60H74N12O10/c1-37(73)54-59(81)70-50(31-39-18-6-3-7-19-39)60(82)72(36-51(62)74)29-15-26-52(75)63-28-14-25-53(76)66-47(30-38-16-4-2-5-17-38)56(78)68-49(33-41-35-65-45-23-11-9-21-43(41)45)58(80)69-48(32-40-34-64-44-22-10-8-20-42(40)44)57(79)67-46(55(77)71-54)24-12-13-27-61/h2-11,16-23,34-35,37,46-50,54,64-65,73H,12-15,24-33,36,61H2,1H3,(H2,62,74)(H,63,75)(H,66,76)(H,67,79)(H,68,78)(H,69,80)(H,70,81)(H,71,77)/t37-,46+,47+,48-,49+,50+,54+/m1/s1
IUPAC Name
2-[(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis[(1H-indol-3-yl)methyl]-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octaazacyclooctacosan-1-yl]acetamide
SMILES
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CCCNC(=O)CCCN(CC(N)=O)C(=O)[C@H](CC2=CC=CC=C2)NC1=O

References

General References
Not Available
PubChem Compound
9919857
PubChem Substance
347828959
ChemSpider
8095496

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAcromegaly2
1CompletedTreatmentHealthy Volunteers (HV)3
1Unknown StatusTreatmentBreast Cancer / Cancer of the Skin / Skin Diseases1

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 Solubility0.00501 mg/mLALOGPS
logP2.15ALOGPS
logP0.42Chemaxon
logS-5.4ALOGPS
pKa (Strongest Acidic)11.61Chemaxon
pKa (Strongest Basic)10.18Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count12Chemaxon
Polar Surface Area344.93 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity305.03 m3·mol-1Chemaxon
Polarizability118.95 Å3Chemaxon
Number of Rings7Chemaxon
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/MSsplash10-00di-0900000000-837b81100692c107548a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uk9-2900000003-fd05790e6c3f9c831bec
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ukc-8900000015-dfa62e54de402125ad44
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-6900000000-d3ba468ad1bbc06cbd4e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0005-9700000000-2ce4fcbe746655b97a00
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-003r-7900000013-039271b9a1d416c42c1d
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-333.215
predicted
DeepCCS 1.0 (2019)
[M+H]+334.9387
predicted
DeepCCS 1.0 (2019)
[M+Na]+341.3846
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:11 / Updated at September 28, 2023 05:48