2-(5-fluoro-pentyl)-2-methyl-malonic-acid
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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
- 2-(5-fluoro-pentyl)-2-methyl-malonic-acid
- DrugBank Accession Number
- DB16029
- Background
2-(5-fluoro-pentyl)-2-methyl-malonic-acid is under investigation in clinical trial NCT00696943 (18F ML-10 for Early Detection of Response of Brain Metastases to SRS).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 205.216
Monoisotopic: 205.09797163 - Chemical Formula
- C9H15FO4
- Synonyms
- Not Available
- External IDs
- 18F-ML-10
- ML-10 F-18
- ML10 F-18
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- AK3K0K6CM5
- CAS number
- 1236354-10-1
- InChI Key
- BOYGOAXVKOOCKN-LMANFOLPSA-N
- InChI
- InChI=1S/C9H15FO4/c1-9(7(11)12,8(13)14)5-3-2-4-6-10/h2-6H2,1H3,(H,11,12)(H,13,14)/i10-1
- IUPAC Name
- 2-[5-(¹⁸F)fluoropentyl]-2-methylpropanedioic acid
- SMILES
- CC(CCCCC[18F])(C(O)=O)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 32699106
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Diagnostic Metastasis to Brain of Unknown Primary 1 2 Unknown Status Diagnostic Brain Metastases / Solid Tumors 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 5.78 mg/mL ALOGPS logP 0.46 ALOGPS logP 2 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 2.46 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 74.6 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 46.7 m3·mol-1 Chemaxon Polarizability 20.02 Å3 Chemaxon Number of Rings 0 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 splash10-02t9-0900000000-ec7cf186a1113a685f60 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0190000000-eeb0356c31e72ee0c410 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0900-3910000000-57123b43f59f52bc045f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00kr-9500000000-52494728f6ec56f65fcd Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0096-9800000000-be22df5b17c995b24c81 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03y0-6900000000-e6cc36e6eca16ce05c02 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 December 15, 2020 18:02 / Updated at December 20, 2020 03:35