NAV

Satoreotide trizoxetan

Identification

Generic Name
Satoreotide trizoxetan
DrugBank Accession Number
DB17158
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1660.24
Monoisotopic: 1658.6049122
Chemical Formula
C73H95ClN18O21S2
Synonyms
Not Available
External IDs
  • OPS-202
  • OPS202
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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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3M7TX701A4
CAS number
1638746-88-9
InChI Key
MDDXVKPIPNUPBG-LJLVINLTSA-N
InChI
InChI=1S/C73H95ClN18O21S2/c1-39(93)61-70(109)86-55(68(107)82-49(62(76)101)30-43-11-19-47(94)20-12-43)38-115-114-37-54(85-65(104)50(31-40-5-13-44(74)14-6-40)80-57(95)22-21-56(71(110)111)92-28-26-90(35-59(97)98)24-25-91(27-29-92)36-60(99)100)69(108)84-52(33-41-7-15-45(16-8-41)78-64(103)53-34-58(96)88-73(113)87-53)67(106)83-51(32-42-9-17-46(18-10-42)79-72(77)112)66(105)81-48(63(102)89-61)4-2-3-23-75/h5-20,39,48-56,61,93-94H,2-4,21-38,75H2,1H3,(H2,76,101)(H,78,103)(H,80,95)(H,81,105)(H,82,107)(H,83,106)(H,84,108)(H,85,104)(H,86,109)(H,89,102)(H,97,98)(H,99,100)(H,110,111)(H3,77,79,112)(H2,87,88,96,113)/t39-,48?,49-,50+,51-,52+,53+,54?,55+,56?,61+/m1/s1
IUPAC Name
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}-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]butanoic acid
SMILES
[H][C@]1(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](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)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)CCC(N1CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O

References

General References
Not Available
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedDiagnosticGastroenteropancreatic Neuroendocrine Tumors1
2TerminatedDiagnosticBreast Cancer1
1, 2CompletedDiagnosticGastroenteropancreatic Neuroendocrine Tumors1
1, 2TerminatedOtherSmall Cell Lung Cancer and Breast Cancer1

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 Solubility0.0249 mg/mLALOGPS
logP-1.3ALOGPS
logP-8.8Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)-3.1Chemaxon
pKa (Strongest Basic)10.28Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count25Chemaxon
Hydrogen Donor Count20Chemaxon
Polar Surface Area606.41 Å2Chemaxon
Rotatable Bond Count31Chemaxon
Refractivity417.54 m3·mol-1Chemaxon
Polarizability162.82 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
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 22, 2022 17:57 / Updated at January 16, 2023 09:34