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Snubh-nm-333 F-18

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

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Data Packages
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Identification

Generic Name
Snubh-nm-333 F-18
DrugBank Accession Number
DB15457
Background

Snubh-nm-333 F-18 is under investigation in clinical trial NCT02149017 (Phase 1 and Phase 2 Clinical Trials of SNUBH-NM-333(18F)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 257.32
Monoisotopic: 257.065232203
Chemical Formula
C14H11FN2S
Synonyms
  • SNUBH-NM-333(18F)
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Pharmacology

Indication

Not Available

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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
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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
I8WEG59XVM
CAS number
1226795-18-1
InChI Key
QLWFXLJVGCECSV-HUYCHCPVSA-N
InChI
InChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3/i15-1
IUPAC Name
4-[6-(¹⁸F)fluoro-1,3-benzothiazol-2-yl]-N-methylaniline
SMILES
CNC1=CC=C(C=C1)C1=NC2=C(S1)C=C([18F])C=C2

References

General References
Not Available
ChemSpider
26347687
ChEMBL
CHEMBL1774645
ZINC
ZINC000102827579

Clinical Trials

Clinical Trials
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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 Solubility0.00721 mg/mLALOGPS
logP4.28ALOGPS
logP3.75Chemaxon
logS-4.6ALOGPS
pKa (Strongest Basic)3.64Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area24.92 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity82.64 m3·mol-1Chemaxon
Polarizability27.18 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0a4i-0090000000-8431d30b96cf56ab293a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0190000000-0c539681c95e291f7954
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-60dd1618eeb3618fc537
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pb9-0890000000-de40f3b027e28de5ab58
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00lr-8790000000-6bf2553d07dbaf71e6fb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-0960000000-1b96c2ae12ec2429a5c7
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:34 / Updated at June 12, 2020 16:53