NAV

MPT-0L055

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

Identification

Generic Name
MPT-0L055
DrugBank Accession Number
DB17136
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 417.85
Monoisotopic: 417.0880191
Chemical Formula
C23H16ClN3O3
Synonyms
  • 4-(((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)methyl)-n-3-pyridinylbenzamide
  • 4-(((3-chloro-1,4-dioxo-1,4 dihydronaphthalen-2-yl)amino)methyl)-n-(pyridine-3-yl)benzamide
  • Benzamide, 4-(((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)methyl)-n-3-pyridinyl-
External IDs
  • MPT-0L055
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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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
U1DMN1EU6W
CAS number
2069950-14-5
InChI Key
WCXAUCDLLSWGQS-UHFFFAOYSA-N
InChI
InChI=1S/C23H16ClN3O3/c24-19-20(22(29)18-6-2-1-5-17(18)21(19)28)26-12-14-7-9-15(10-8-14)23(30)27-16-4-3-11-25-13-16/h1-11,13,26H,12H2,(H,27,30)
IUPAC Name
4-{[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]methyl}-N-(pyridin-3-yl)benzamide
SMILES
ClC1=C(NCC2=CC=C(C=C2)C(=O)NC2=CC=CN=C2)C(=O)C2=C(C=CC=C2)C1=O

References

General References
Not Available
ChemSpider
90618768
ChEMBL
CHEMBL4171263

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00277 mg/mLALOGPS
logP3.55ALOGPS
logP2.76Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)15.68Chemaxon
pKa (Strongest Basic)4.37Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area88.16 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity117.36 m3·mol-1Chemaxon
Polarizability43.16 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 18, 2022 21:37 / Updated at December 01, 2022 11:35