Quinfamide

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

Identification

Generic Name
Quinfamide
DrugBank Accession Number
DB12780
Background

Quinfamide has been used in trials studying the treatment of Amoebiasis and Helminthiasis.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 354.18
Monoisotopic: 353.0221633
Chemical Formula
C16H13Cl2NO4
Synonyms
  • Quinfamide

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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Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Hydroquinolines
Direct Parent
Hydroquinolines
Alternative Parents
Furoic acid esters / Benzenoids / Tertiary carboxylic acid amides / Heteroaromatic compounds / Carboxylic acid esters / Oxacyclic compounds / Monocarboxylic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds
show 5 more
Substituents
Alkyl chloride / Alkyl halide / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Carboxylic acid ester / Furan
show 16 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
O1ZB1046R1
CAS number
62265-68-3
InChI Key
SBJGFIXQRZOVTO-UHFFFAOYSA-N
InChI
InChI=1S/C16H13Cl2NO4/c17-14(18)15(20)19-7-1-3-10-9-11(5-6-12(10)19)23-16(21)13-4-2-8-22-13/h2,4-6,8-9,14H,1,3,7H2
IUPAC Name
1-(2,2-dichloroacetyl)-1,2,3,4-tetrahydroquinolin-6-yl furan-2-carboxylate
SMILES
ClC(Cl)C(=O)N1CCCC2=CC(OC(=O)C3=CC=CO3)=CC=C12

References

General References
Not Available
PubChem Compound
71743
PubChem Substance
347828961
ChemSpider
64787
RxNav
35216
ChEBI
135493
ChEMBL
CHEMBL2107014
ZINC
ZINC000000538272
Wikipedia
Quinfamide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentAmebiasis / Helminthiasis1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
SuspensionOral60.000 mg
TabletOral
TabletOral200.000 mg
TabletOral100.000 mg
SuspensionOral1.000 g
TabletOral300.000 mg
SuspensionOral
TabletOral100 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0315 mg/mLALOGPS
logP2.87ALOGPS
logP3.56Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)13.07Chemaxon
pKa (Strongest Basic)-3.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area59.75 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity86.12 m3·mol-1Chemaxon
Polarizability34.4 Å3Chemaxon
Number of Rings3Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0002-9120000000-179af3c1e507a326292d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9001000000-a12a2153f2ac9f313790
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-05fr-1892000000-4d275db1a5445fe884e8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f92-9015000000-e25a626fcd0b45ad54d2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0490000000-128dbafd9292697158f4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9632000000-bd7de2508f7f13ad227a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-006t-2971000000-e93478f73b8d1656df71
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-174.0258
predicted
DeepCCS 1.0 (2019)
[M+H]+176.3838
predicted
DeepCCS 1.0 (2019)
[M+Na]+182.47694
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:11 / Updated at February 21, 2021 18:53