PBT-1033

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

Identification

Generic Name
PBT-1033
DrugBank Accession Number
DB05565
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 271.14
Monoisotopic: 270.0326684
Chemical Formula
C12H12Cl2N2O
Synonyms
  • 5,7-dichloro-2-(dimethylaminomethyl)quinolin-8-ol
  • 8-quinolinol, 5,7-dichloro-2-((dimethylamino)methyl)-
External IDs
  • PB 1033
  • PBT-2
  • PBT2

Pharmacology

Indication

Investigated for use/treatment in alzheimer's disease.

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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
PBT-1033 hydrochloride24Z79C941B648896-70-2Not applicable

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Q7K6GJQ4O4
CAS number
747408-78-2
InChI Key
YZPOQCQXOSEMAZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3
IUPAC Name
5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol
SMILES
CN(C)CC1=CC=C2C(Cl)=CC(Cl)=C(O)C2=N1

References

General References
Not Available
Human Metabolome Database
HMDB0256151
ChemSpider
8191585
ChEMBL
CHEMBL3634131

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.355 mg/mLALOGPS
logP3.23ALOGPS
logP1.85Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)6.77Chemaxon
pKa (Strongest Basic)8.34Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area36.36 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity69.59 m3·mol-1Chemaxon
Polarizability26.97 Å3Chemaxon
Number of Rings2Chemaxon
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/MSsplash10-00di-0090000000-243ffe9ec59e5f752bf4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-810161373a693c37bfbc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-fc7df61b34236d0ad185
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-3090000000-8d45ce45054073690f03
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9810000000-d005620e5e4a372b827c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-002f-1960000000-a49d041ba6048f7a8548
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 18, 2007 18:26 / Updated at September 28, 2023 05:47