PBT-434

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

Identification

Generic Name
PBT-434
DrugBank Accession Number
DB16965
Background

Not Available

Type
Small Molecule
Groups
Approved, Investigational
Structure
Weight
Average: 302.16
Monoisotopic: 301.0384821
Chemical Formula
C12H13Cl2N3O2
Synonyms
  • 5,7-dichloro-2-((ethylamino)methyl)-8-hydroxy-3-methylquinazolin-4(3h)-one
External IDs
  • PBT-434
  • PBT434

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

Products

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Product Ingredients
IngredientUNIICASInChI Key
PBT-434 Mesylate826P1VAG3UNot AvailableNot applicable

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
UK4JEM5WVX
CAS number
1232840-87-7
InChI Key
LQNHWKHRUWSYBK-UHFFFAOYSA-N
InChI
InChI=1S/C12H13Cl2N3O2/c1-3-15-5-8-16-10-9(12(19)17(8)2)6(13)4-7(14)11(10)18/h4,15,18H,3,5H2,1-2H3
IUPAC Name
5,7-dichloro-2-[(ethylamino)methyl]-8-hydroxy-3-methyl-3,4-dihydroquinazolin-4-one
SMILES
CCNCC1=NC2=C(C(Cl)=CC(Cl)=C2O)C(=O)N1C

References

General References
Not Available
ChemSpider
81367397

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentMultiple System Atrophy (MSA)1

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 Solubility0.261 mg/mLALOGPS
logP1.71ALOGPS
logP0.75Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)5.81Chemaxon
pKa (Strongest Basic)7.87Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area64.93 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity76.76 m3·mol-1Chemaxon
Polarizability29.55 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 15, 2022 01:54 / Updated at December 13, 2022 10:46