Florbenazine F-18

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Florbenazine F-18
DrugBank Accession Number
DB14945
Background

Florbenazine F-18 is under investigation in clinical trial NCT01515384 (A Trial of 18F-AV-133 Positron Emission Tomography (PET)).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 364.492
Monoisotopic: 364.239156561
Chemical Formula
C21H32FNO3
Synonyms
  • 18F-AV-133

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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
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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
KM31LBX59H
CAS number
956903-29-0
InChI Key
GNKGXQHHUUEYQV-WTHAECTESA-N
InChI
InChI=1S/C21H32FNO3/c1-14(2)9-16-13-23-7-5-15-10-21(26-8-4-6-22)20(25-3)11-17(15)18(23)12-19(16)24/h10-11,14,16,18-19,24H,4-9,12-13H2,1-3H3/t16-,18-,19-/m1/s1/i22-1
IUPAC Name
(2R,3R,11bR)-9-[3-(¹⁸F)fluoropropoxy]-10-methoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol
SMILES
COC1=C(OCCC[18F])C=C2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3C2=C1

References

General References
Not Available
ChemSpider
26338549
ChEMBL
CHEMBL1780010
ZINC
ZINC000100529342

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2, 3CompletedDiagnosticParkinson's Disease (PD) / Parkinson's Disease, Lewy Body / Primary Parkinsonism1
1CompletedDiagnosticType 2 Diabetes Mellitus1
1TerminatedDiagnosticType 1 Diabetes Mellitus / Type 2 Diabetes Mellitus1
1, 2CompletedDiagnosticAlzheimer's Disease (AD) / Dementia With Lewy Body Disease / Parkinson's Disease (PD)1
Not AvailableCompletedNot AvailableType 1 Diabetes Mellitus1

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
PropertyValueSource
Water Solubility0.0472 mg/mLALOGPS
logP3.2ALOGPS
logP2.93Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)14.85Chemaxon
pKa (Strongest Basic)8.18Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area41.93 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity101.86 m3·mol-1Chemaxon
Polarizability42.07 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-15d603800e9d0b72eccd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-1009000000-305df2bbc74470a02ece
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0119000000-7bb50d625af824bc552f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-9008000000-fc6a74f05f3006815816
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0295000000-ea75c86ef701a649b30e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ldi-1559000000-0f347fceaee4d16d1e8b
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:37 / Updated at June 12, 2020 16:53