NAV

KX-2361

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

Identification

Generic Name
KX-2361
DrugBank Accession Number
DB17180
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 405.473
Monoisotopic: 405.185255188
Chemical Formula
C24H24FN3O2
Synonyms
  • 2-pyridineacetamide, n-((3-fluorophenyl)methyl)-5-(4-(4-morpholinyl)phenyl)-
  • N-(3-fluorobenzyl)-2-(5-(4-morpholinophenyl) pyridin-2-yl) acetamide
External IDs
  • KX-02
  • KX-2361
  • KX2-361
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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
KX-2361 BesylateA718CYC1N01571072-87-1PTKRPOIHIOAMPP-UHFFFAOYSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
RVW387BA9U
CAS number
897016-26-1
InChI Key
CMKKPJNMYLOUCE-UHFFFAOYSA-N
InChI
InChI=1S/C24H24FN3O2/c25-21-3-1-2-18(14-21)16-27-24(29)15-22-7-4-20(17-26-22)19-5-8-23(9-6-19)28-10-12-30-13-11-28/h1-9,14,17H,10-13,15-16H2,(H,27,29)
IUPAC Name
N-[(3-fluorophenyl)methyl]-2-{5-[4-(morpholin-4-yl)phenyl]pyridin-2-yl}acetamide
SMILES
FC1=CC=CC(CNC(=O)CC2=NC=C(C=C2)C2=CC=C(C=C2)N2CCOCC2)=C1

References

General References
Not Available
ChemSpider
9720699
BindingDB
50517924
ChEMBL
CHEMBL4297299

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvance Malignancies1

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 Solubility0.016 mg/mLALOGPS
logP3.55ALOGPS
logP3.6Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)15.12Chemaxon
pKa (Strongest Basic)3.97Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area54.46 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity115.02 m3·mol-1Chemaxon
Polarizability43.49 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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 24, 2022 17:12 / Updated at September 28, 2023 05:47