Tinostamustine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Tinostamustine
- DrugBank Accession Number
- DB15147
- Background
Tinostamustine is under investigation in clinical trial NCT03452930 (Tinostamustine With or Without Radiation Therapy in Treating Patients With Newly Diagnosed MGMT-Unmethylated Glioblastoma).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 415.36
Monoisotopic: 414.1589316 - Chemical Formula
- C19H28Cl2N4O2
- Synonyms
- Tinostamustine
- External IDs
- EDO-S 101
- EDO-S-101
- EDO-S101
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
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 Tinostamustine hydrochloride QK4ZBS4FPO 1793059-58-1 DWGQFQRWFYIINU-UHFFFAOYSA-N
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 29DKI2H2NY
- CAS number
- 1236199-60-2
- InChI Key
- GISXTRIGVCKQBX-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H28Cl2N4O2/c1-24-17-9-8-15(25(12-10-20)13-11-21)14-16(17)22-18(24)6-4-2-3-5-7-19(26)23-27/h8-9,14,27H,2-7,10-13H2,1H3,(H,23,26)
- IUPAC Name
- 7-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}-N-hydroxyheptanamide
- SMILES
- CN1C(CCCCCCC(=O)NO)=NC2=CC(=CC=C12)N(CCCl)CCCl
References
- General References
- Not Available
- External Links
- ChemSpider
- 58171714
- ChEMBL
- CHEMBL3989941
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Active Not Recruiting Treatment Cutaneous T-Cell Lymphoma (CTCL) / Hematological Malignancy / Hodgkin's Lymphoma / Multiple Myeloma (MM) 1 1 Active Not Recruiting Treatment High Grade Glioma: Glioblastoma (GBM) / High Grade Glioma: Gliosarcoma / MGMT-unmethylated Glioblastoma (GBM) 1 1 Recruiting Treatment Malignant Melanoma 1 1, 2 Completed Treatment Endometrial Cancer / Ovarian Cancer / Small Cell Lung Cancer (SCLC) / Soft Tissue Sarcoma / Triple-Negative Breast Cancer 1 1, 2 Terminated Treatment Multiple Myeloma Progression / Multiple Myeloma With Failed Remission / Relapsed Multiple Myeloma 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 0.012 mg/mL ALOGPS logP 4.61 ALOGPS logP 3.72 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 8.92 Chemaxon pKa (Strongest Basic) 7.2 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 70.39 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 110.31 m3·mol-1 Chemaxon Polarizability 46.02 Å3 Chemaxon Number of Rings 2 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 splash10-001i-0009200000-4e2061037fc6650797a9 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9001000000-db5e8810098f0af2e9ed Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0019000000-9746f8e294c2c20ee407 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-b8098bda256c5547e494 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-056u-0098000000-bee84aa4f6e822a8d551 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9002100000-9f43720dbdbfc9acfc98 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 May 20, 2019 14:53 / Updated at September 28, 2023 05:47