Marizomib
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Marizomib
- DrugBank Accession Number
- DB11762
- Background
Marizomib has been used in trials studying the treatment of Cancer, Melanoma, Lymphoma, Glioblastoma, and Malignant Glioma, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 313.78
Monoisotopic: 313.1080858 - Chemical Formula
- C15H20ClNO4
- Synonyms
- Marizomib
- External IDs
- Npi 0052
- NPI-0052
Pharmacology
- Indication
Not Available
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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
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acids and derivatives
- Alternative Parents
- Oxoprolines / 1,4-oxazepines / Pyrrolidine-2-ones / Beta propiolactones / Secondary carboxylic acid amides / Secondary alcohols / Oxetanes / Carboxylic acid esters / Lactams / Oxacyclic compounds show 9 more
- Substituents
- 2-pyrrolidone / Alcohol / Aliphatic heteropolycyclic compound / Alkyl chloride / Alkyl halide / Alpha-amino acid or derivatives / Azacycle / Beta_propiolactone / Carbonyl group / Carboxamide group show 22 more
- Molecular Framework
- Aliphatic heteropolycyclic compounds
- External Descriptors
- organochlorine compound, organic heterobicyclic compound, beta-lactone, gamma-lactam, salinosporamide (CHEBI:48045)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 703P9YDP7F
- CAS number
- 437742-34-2
- InChI Key
- NGWSFRIPKNWYAO-SHTIJGAHSA-N
- InChI
- InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1
- IUPAC Name
- (1R,4R,5S)-4-(2-chloroethyl)-1-[(S)-[(1S)-cyclohex-2-en-1-yl](hydroxy)methyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
- SMILES
- C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11347535
- PubChem Substance
- 347828116
- ChemSpider
- 9522473
- BindingDB
- 50398608
- ChEBI
- 48045
- ChEMBL
- CHEMBL371405
- ZINC
- ZINC000003990364
- Wikipedia
- Salinosporamide_A
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Newly diagnosed Glioblastoma Multiforme (GBM) 1 2 Completed Treatment High Grade Recurrent Glioma and Newly Diagnosed Glioblastoma 1 2 Completed Treatment Multiple Myeloma (MM) 1 2 Not Yet Recruiting Treatment Multiple Myeloma (MM) / Refractory Multiple Myeloma / Relapsed Multiple Myeloma 1 2 Terminated Treatment Anaplastic Ependymoma / Ependymoma 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 1.29 mg/mL ALOGPS logP 1.39 ALOGPS logP 1.24 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 10.32 Chemaxon pKa (Strongest Basic) -2.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 75.63 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 77.39 m3·mol-1 Chemaxon Polarizability 31.62 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-a79a7d950c004c88d07a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0019000000-28811b15b38e880d6eca Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0w2a-5193000000-3721f54e7e1a3206615c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03ec-5696000000-1989fb5b7de2335463e5 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-9100000000-ede73fc6d470b99f1ae3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-1980000000-d28f1e67dad21d0a78aa Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 169.918685 predictedDarkChem Lite v0.1.0 [M-H]- 174.61354 predictedDeepCCS 1.0 (2019) [M+H]+ 168.971685 predictedDarkChem Lite v0.1.0 [M+H]+ 177.00911 predictedDeepCCS 1.0 (2019) [M+Na]+ 169.442685 predictedDarkChem Lite v0.1.0 [M+Na]+ 183.31323 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:46 / Updated at February 21, 2021 18:53