NAV

Satoreotide tetraxetan

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

Identification

Generic Name
Satoreotide tetraxetan
DrugBank Accession Number
DB16323
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1689.28
Monoisotopic: 1687.6314613
Chemical Formula
C74H98ClN19O21S2
Synonyms
  • Dota satoreotide
  • Satoreotide dota
  • Satoreotide tetraxetan
External IDs
  • DOTA-JR-11
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
EC1O2FB9FV
CAS number
1039726-31-2
InChI Key
ZJZDXGQUNVNYQP-PBJKGYOGSA-N
InChI
InChI=1S/C74H98ClN19O21S2/c1-41(95)63-72(113)87-57(70(111)83-51(64(77)105)30-45-11-19-49(96)20-12-45)40-117-116-39-56(86-67(108)52(31-42-5-13-46(75)14-6-42)81-59(98)35-91-22-24-92(36-60(99)100)26-28-94(38-62(103)104)29-27-93(25-23-91)37-61(101)102)71(112)85-54(33-43-7-15-47(16-8-43)79-66(107)55-34-58(97)89-74(115)88-55)69(110)84-53(32-44-9-17-48(18-10-44)80-73(78)114)68(109)82-50(65(106)90-63)4-2-3-21-76/h5-20,41,50-57,63,95-96H,2-4,21-40,76H2,1H3,(H2,77,105)(H,79,107)(H,81,98)(H,82,109)(H,83,111)(H,84,110)(H,85,112)(H,86,108)(H,87,113)(H,90,106)(H,99,100)(H,101,102)(H,103,104)(H3,78,80,114)(H2,88,89,97,115)/t41-,50+,51-,52+,53?,54+,55+,56?,57?,63+/m1/s1
IUPAC Name
2-[4-({[(1S)-1-{[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-{[(1R)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-13-{[4-(carbamoylamino)phenyl]methyl}-16-({4-[(4S)-2,6-dioxo-1,3-diazinane-4-amido]phenyl}methyl)-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-(4-chlorophenyl)ethyl]carbamoyl}methyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid
SMILES
[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CC=C(NC(N)=O)C=C2)NC(=O)[C@H](CC2=CC=C(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C=C2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(N)=O)NC(=O)[C@H](CC1=CC=C(Cl)C=C1)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O

References

General References
Not Available
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Unknown StatusDiagnosticTumor-induced Osteomalacia (TIO)1
1, 2TerminatedOtherSmall Cell Lung Cancer and Breast Cancer1
1, 2TerminatedTreatmentNeuroendocrine Tumors1

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 Solubility0.0698 mg/mLALOGPS
logP-1.2ALOGPS
logP-10Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)-0.48Chemaxon
pKa (Strongest Basic)10.28Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count26Chemaxon
Hydrogen Donor Count20Chemaxon
Polar Surface Area609.65 Å2Chemaxon
Rotatable Bond Count30Chemaxon
Refractivity426.36 m3·mol-1Chemaxon
Polarizability165.18 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/MSsplash10-00du-0400029000-3d8df1aa0b65b78bdeb7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-016u-1100039000-cbdab014a6a2a275d4e6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dl-0300049000-a00fbeef150531982147
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-4201029000-c303f3fc0c3cead12e07
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-5911028000-e02db341712934926b5d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-9121634000-282ba6ea89e846be7baa
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 20:02 / Updated at February 21, 2021 18:55