Martinostat
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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
- Martinostat
- DrugBank Accession Number
- DB14979
- Background
Martinostat is under investigation in clinical trial NCT03721211 (Imaging With [11C]Martinostat in Breast Cancer).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 354.494
Monoisotopic: 354.230728214 - Chemical Formula
- C22H30N2O2
- Synonyms
- Not Available
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8JJC99KHGL
- CAS number
- 1629052-58-9
- InChI Key
- WNIDBXBLQFPAJA-VOTSOKGWSA-N
- InChI
- InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
- IUPAC Name
- (2E)-3-[4-({[(adamantan-1-yl)methyl](methyl)amino}methyl)phenyl]-N-hydroxyprop-2-enamide
- SMILES
- CN(CC1=CC=C(\C=C\C(=O)NO)C=C1)CC12CC3CC(CC(C3)C1)C2
References
- General References
- Not Available
- External Links
- ChemSpider
- 34987952
- BindingDB
- 323709
- Wikipedia
- Martinostat
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Withdrawn Diagnostic Breast Cancer 1 Not Available Recruiting Diagnostic Diabetes / Heart Failure With Normal Ejection Fraction / Left Ventricular Hypertrophy / Valve Stenoses, Aortic 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 0.00127 mg/mL ALOGPS logP 4.17 ALOGPS logP 3 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 9.23 Chemaxon pKa (Strongest Basic) 9.87 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 52.57 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 105.37 m3·mol-1 Chemaxon Polarizability 40.91 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 splash10-0a4i-0309000000-1d44b3d92ffa2493abb2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0209000000-1d0f8a81b2a8c40e78f1 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0902000000-e38c964d724809171250 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00dl-5259000000-87be584dbab1b62e920d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00fv-1910000000-b8f795f9a2b27f7a99b8 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0nmj-0921000000-b6af33a35e7d5bfdbcce 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 14:39 / Updated at June 12, 2020 16:53