NAV

WSD-0922

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

Identification

Generic Name
WSD-0922
DrugBank Accession Number
DB17170
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 442.442
Monoisotopic: 442.161660421
Chemical Formula
C23H21F3N4O2
Synonyms
  • (r)-6-((3,3-difluoro-1-methylpiperidin-4-yl)oxy)-n-(3-ethynyl-2-fluorophenyl)-7-methoxyquinazolin-4-amine-
External IDs
  • WSD 0922
  • WSD-0922
  • WSD0922
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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

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
(R)-6-((3,3-Difluoro-1-Methylpiperidine-4-Yl)Oxy-N-(3-Ethynyl-2-Fluorophenyl)-7-Methoxyquinazolin-4-Amine FumerateNot AvailableNot AvailableNot applicable

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
UF6QZ5E1AY
CAS number
2226552-64-1
InChI Key
RIHUDRGMCALEAK-HXUWFJFHSA-N
InChI
InChI=1S/C23H21F3N4O2/c1-4-14-6-5-7-16(21(14)24)29-22-15-10-19(18(31-3)11-17(15)27-13-28-22)32-20-8-9-30(2)12-23(20,25)26/h1,5-7,10-11,13,20H,8-9,12H2,2-3H3,(H,27,28,29)/t20-/m1/s1
IUPAC Name
6-{[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy}-N-(3-ethynyl-2-fluorophenyl)-7-methoxyquinazolin-4-amine
SMILES
COC1=CC2=NC=NC(NC3=CC=CC(C#C)=C3F)=C2C=C1O[C@@H]1CCN(C)CC1(F)F

References

General References
Not Available
ChemSpider
123962564

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentAnaplastic Astrocytoma, IDH-Wildtype / Glioblastoma IDH (Isocitrate Dehydrogenase) Wildtype / Metastatic Malignant Neoplasm in the Central Nervous System / Metastatic Non-Small Cell Lung Cancer1

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 Solubility0.00685 mg/mLALOGPS
logP3.98ALOGPS
logP4.11Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)14.28Chemaxon
pKa (Strongest Basic)5.18Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area59.51 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity111.17 m3·mol-1Chemaxon
Polarizability43.44 Å3Chemaxon
Number of Rings4Chemaxon
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 November 23, 2022 22:21 / Updated at July 18, 2023 22:58