PBT-434
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key PBT-434 Mesylate 826P1VAG3U Not Available Not 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
- External Links
- ChemSpider
- 81367397
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Multiple 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
Property Value Source Water Solubility 0.261 mg/mL ALOGPS logP 1.71 ALOGPS logP 0.75 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 5.81 Chemaxon pKa (Strongest Basic) 7.87 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 64.93 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 76.76 m3·mol-1 Chemaxon Polarizability 29.55 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 15, 2022 01:54 / Updated at December 13, 2022 10:46