Fluorofuranylnorprogesterone F-18
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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
- Fluorofuranylnorprogesterone F-18
- DrugBank Accession Number
- DB15282
- Background
Fluorofuranylnorprogesterone F-18 is under investigation in clinical trial NCT02455453 (Assessment of Functional Status of Estrogen Receptors in Breast Cancer by Positron Emission Tomography).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 427.503
Monoisotopic: 427.202436701 - Chemical Formula
- C25H29FO5
- Synonyms
- 18F-FFNP
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
- 3I798OGQ8B
- CAS number
- 160388-43-2
- InChI Key
- VJKRBRUNEOHPBS-JQKUZGBFSA-N
- InChI
- InChI=1S/C25H29FO5/c1-24-9-8-17-16-7-5-15(27)11-14(16)4-6-18(17)19(24)12-22-25(24,21(28)13-26)31-23(30-22)20-3-2-10-29-20/h2-3,10-11,16-19,22-23H,4-9,12-13H2,1H3/t16-,17+,18+,19-,22+,23+,24-,25+/m0/s1/i26-1
- IUPAC Name
- (1R,2S,4R,6R,8S,9S,12S,13R)-8-[2-(¹⁸F)fluoroacetyl]-6-(furan-2-yl)-9-methyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-17-en-16-one
- SMILES
- C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)C[18F])C1=CC=CO1
References
- General References
- Not Available
- External Links
- ChemSpider
- 58828602
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Diagnostic Breast Cancer 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 0.0251 mg/mL ALOGPS logP 4.07 ALOGPS logP 4.33 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 14.61 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 65.74 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 110.28 m3·mol-1 Chemaxon Polarizability 45.2 Å3 Chemaxon Number of Rings 6 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 splash10-004i-0004900000-94eda8014735b252413b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0002900000-3ea7a36b4ee691f63587 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-02vi-0129400000-d62dee55f865ea54de4d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-1019200000-65317b0a84772b6c4345 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-9012400000-657477ce7eec04168973 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-08gi-1947100000-313a9709184a7d3ae360 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 15:08 / Updated at June 12, 2020 16:53