Florzolotau F-18

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

Identification

Generic Name
Florzolotau F-18
DrugBank Accession Number
DB16297
Background

PMPBB3 F-18 is under investigation in clinical trial NCT04305210 (Alzheimer's Disease: Clinical Investigation and Neuroimage Studies Including 18F-PM-PBB3 and 18f-florbetapir (AV-45) PET Examination).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 384.46
Monoisotopic: 384.128560737
Chemical Formula
C20H20FN3O2S
Synonyms
Not Available
External IDs
  • (18F) MNI-958
  • APN-1607 F-18
  • F-18 PMPBB3
  • MNI-958 F-18
  • PMPBB3 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
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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
51M993JIQ4
CAS number
1565797-57-0
InChI Key
XXNYLYXTRMQXJS-CDLXMPELSA-N
InChI
InChI=1S/C20H20FN3O2S/c1-22-19-9-6-14(12-23-19)4-2-3-5-20-24-17-8-7-16(10-18(17)27-20)26-13-15(25)11-21/h2-10,12,15,25H,11,13H2,1H3,(H,22,23)/b4-2+,5-3+/i21-1
IUPAC Name
1-(¹⁸F)fluoro-3-({2-[(1E,3E)-4-[6-(methylamino)pyridin-3-yl]buta-1,3-dien-1-yl]-1,3-benzothiazol-6-yl}oxy)propan-2-ol
SMILES
CNC1=CC=C(\C=C\C=C\C2=NC3=C(S2)C=C(OCC(O)C[18F])C=C3)C=N1

References

General References
Not Available
ChemSpider
81367183

Clinical Trials

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
PropertyValueSource
Water Solubility0.00193 mg/mLALOGPS
logP4.24ALOGPS
logP3.47Chemaxon
logS-5.3ALOGPS
pKa (Strongest Acidic)13.35Chemaxon
pKa (Strongest Basic)6.33Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area67.27 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity107.68 m3·mol-1Chemaxon
Polarizability42.41 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/MSsplash10-014r-0009000000-b94c44ee6726c5194b1a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-2009000000-db93342acf16fe638c91
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05n0-0009000000-560358bfffa360c4d47d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0aor-3019000000-83045b862ee4fae76000
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-08mi-0519000000-237c485839383fd80429
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0392000000-5a8f1564a59a47d84bb4
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:18 / Updated at June 25, 2023 04:56