Sepantronium
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Sepantronium
- DrugBank Accession Number
- DB17062
- Background
Sepantronium is a compound that suppresses survivin expression in a dose and time-dependent manner, and causes broad-range apoptosis.1
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 363.396
Monoisotopic: 363.145166908 - Chemical Formula
- C20H19N4O3
- Synonyms
- 1h-naphth(2,3-d)imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-
- Sepantronium cation
- Sepantronium ion
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
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.
- Product Ingredients
Ingredient UNII CAS InChI Key Sepantronium bromide 7H5Q4J1CM5 781661-94-7 Not applicable
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- UZ77T1VFBM
- CAS number
- 753440-91-4
- InChI Key
- OTSOOHRUMBRSHZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H19N4O3/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25/h3-8,11H,9-10,12H2,1-2H3/q+1
- IUPAC Name
- 3-(2-methoxyethyl)-2-methyl-4,9-dioxo-1-[(pyrazin-2-yl)methyl]-1H,4H,9H-naphtho[2,3-d]imidazol-3-ium
- SMILES
- COCC[N+]1=C(C)N(CC2=NC=CN=C2)C2=C1C(=O)C1=CC=CC=C1C2=O
References
- General References
- Hong M, Ren M, Silva J, Kennedy T, Choi J, Cowell JK, Hao Z: Sepantronium is a DNA damaging agent that synergizes with PLK1 inhibitor volasertib. Am J Cancer Res. 2014 Mar 1;4(2):135-47. eCollection 2014. [Article]
- External Links
- ChemSpider
- 8301708
- BindingDB
- 420311
- ChEBI
- 94552
- ChEMBL
- CHEMBL2110734
- ZINC
- ZINC000001908550
- PDBe Ligand
- GXU
- PDB Entries
- 7d7l
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Breast Cancer 1 2 Completed Treatment Lung Cancer / Non-Small Cell Lung Carcinoma 1 2 Completed Treatment Melanoma 2 2 Completed Treatment Melanoma / Non-Hodgkin's Lymphoma (NHL) / Prostate Cancer 1 2 Completed Treatment Non-Hodgkin's Lymphoma (NHL) 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 0.00645 mg/mL ALOGPS logP 0.02 ALOGPS logP -3.7 Chemaxon logS -4.8 ALOGPS pKa (Strongest Basic) 0.58 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 77.96 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 109.73 m3·mol-1 Chemaxon Polarizability 38.57 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at October 11, 2022 19:22 / Updated at December 13, 2022 10:46