This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Flubrobenguane F18
- DrugBank Accession Number
- DB17261
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Flubrobenguane F18 (DB17261)
- Weight
- Average: 303.166
Monoisotopic: 302.040788 - Chemical Formula
- C11H15BrFN3O
- Synonyms
- Flubrobenguane (18f)
- Flubrobenguane F-18
- N-((3-bromo-4-(3-(fluoro-18f)propoxy)phenyl)methyl)guanidine
- External IDs
- (18F)LMI 1195
- LMI 1195 F-18
- LMI-1195 F-18
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
- 8LF7W971UM
- CAS number
- 1037359-47-9
- InChI Key
- ZYULQCDNUYJBRI-HSGWXFLFSA-N
- InChI
- InChI=1S/C11H15BrFN3O/c12-9-6-8(7-16-11(14)15)2-3-10(9)17-5-1-4-13/h2-3,6H,1,4-5,7H2,(H4,14,15,16)/i13-1
- IUPAC Name
- N-({3-bromo-4-[3-(¹⁸F)fluoropropoxy]phenyl}methyl)guanidine
- SMILES
- NC(=N)NCC1=CC(Br)=C(OCCC[18F])C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 57617978
- ChEMBL
- CHEMBL4298157
Clinical Trials
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 0.0276 mg/mL ALOGPS logP 1.46 ALOGPS logP 1.64 Chemaxon logS -4 ALOGPS pKa (Strongest Basic) 11.68 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 71.13 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 78.8 m3·mol-1 Chemaxon Polarizability 26.9 Å3 Chemaxon Number of Rings 1 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 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 November 30, 2022 21:01 / Updated at December 01, 2022 11:36