Satoreotide trizoxetan
Star0
Identification
- Generic Name
- Satoreotide trizoxetan
- DrugBank Accession Number
- DB17158
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 1660.24
Monoisotopic: 1658.6049122 - Chemical Formula
- C73H95ClN18O21S2
- Synonyms
- Not Available
- External IDs
- OPS-202
- OPS202
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.- 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
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
- External Links
- Not Available
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Diagnostic Gastroenteropancreatic Neuroendocrine Tumors 1 2 Terminated Diagnostic Breast Cancer 1 1, 2 Completed Diagnostic Gastroenteropancreatic Neuroendocrine Tumors 1 1, 2 Terminated Other Small Cell Lung Cancer and Breast Cancer 1
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
Property Value Source Water Solubility 0.0249 mg/mL ALOGPS logP -1.3 ALOGPS logP -8.8 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) -3.1 Chemaxon pKa (Strongest Basic) 10.28 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 25 Chemaxon Hydrogen Donor Count 20 Chemaxon Polar Surface Area 606.41 Å2 Chemaxon Rotatable Bond Count 31 Chemaxon Refractivity 417.54 m3·mol-1 Chemaxon Polarizability 162.82 Å3 Chemaxon Number of Rings 7 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
- 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