NAV

Naphthoquine

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

Identification

Generic Name
Naphthoquine
DrugBank Accession Number
DB16249
Background

Naphthoquine is under investigation in clinical trial NCT01930331 (Safety, Tolerability, Pharmacokinetics and Efficacy of ARCO).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 409.96
Monoisotopic: 409.1920902
Chemical Formula
C24H28ClN3O
Synonyms
Not Available
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

ATC Codes
P01BF08 — Artemisinin and naphthoquine
Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
TRY8UD4E2H
CAS number
173531-57-2
InChI Key
VEVMYTDOWUQLGI-UHFFFAOYSA-N
InChI
InChI=1S/C24H28ClN3O/c1-24(2,3)27-14-15-12-22(17-6-4-5-7-18(17)23(15)29)28-20-10-11-26-21-13-16(25)8-9-19(20)21/h8-13,27,29H,4-7,14H2,1-3H3,(H,26,28)
IUPAC Name
2-[(tert-butylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILES
CC(C)(C)NCC1=CC(NC2=CC=NC3=CC(Cl)=CC=C23)=C2CCCCC2=C1O

References

General References
Not Available
ChemSpider
8027488
RxNav
1721293
ZINC
ZINC000033991990

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
4CompletedTreatmentMalaria caused by Plasmodium falciparum / Plasmodium Falciparum1

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 Solubility0.00201 mg/mLALOGPS
logP5.72ALOGPS
logP5.22Chemaxon
logS-5.3ALOGPS
pKa (Strongest Acidic)9.51Chemaxon
pKa (Strongest Basic)10.62Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area57.18 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity119.79 m3·mol-1Chemaxon
Polarizability46.82 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0001900000-630f40d8f88b6c2d4c72
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-053r-9000400000-f21c04b8ea281f434922
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gw0-1009400000-f6c72abc6ca2f418f6d5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-053r-9000400000-b698323bf94fa173a39f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-6419200000-561c02843eb8dbdacd71
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9103100000-66f5e98c8681d4e1e01b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:16 / Updated at December 20, 2020 03:40