Cloxyquin

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

Identification

Generic Name
Cloxyquin
DrugBank Accession Number
DB15933
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 179.6
Monoisotopic: 179.0137915
Chemical Formula
C9H6ClNO
Synonyms
  • 5-Chloro-8-hydroxyquinoline
  • Cloxiquina
  • Cloxiquine
  • Cloxiquinum
  • Cloxyquin
External IDs
  • 204-978-1
  • NSC-35083

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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
BPF36H1G6S
CAS number
130-16-5
InChI Key
CTQMJYWDVABFRZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
IUPAC Name
5-chloroquinolin-8-ol
SMILES
OC1=CC=C(Cl)C2=CC=CN=C12

References

General References
Not Available
ChemSpider
2715
BindingDB
76305
ChEBI
134818
ChEMBL
CHEMBL225164
ZINC
ZINC000000001209
PDBe Ligand
HZQ
PDB Entries
6qeh / 7dl4

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 Solubility0.833 mg/mLALOGPS
logP2.72ALOGPS
logP2.43Chemaxon
logS-2.3ALOGPS
pKa (Strongest Acidic)8.37Chemaxon
pKa (Strongest Basic)4.01Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area33.12 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity46.76 m3·mol-1Chemaxon
Polarizability17.03 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-001i-0900000000-4a73480b306aee6bd42e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0900000000-2f93ef7cf0694e90f9fe
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0900000000-7957d849998254d25ff2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-0900000000-dbd18d7e98b99d63a6fc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-1900000000-3c34f98ffb5bdc262c46
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9100000000-d21e9070859dda80af7c
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]-130.89537
predicted
DeepCCS 1.0 (2019)
[M+H]+133.77893
predicted
DeepCCS 1.0 (2019)
[M+Na]+142.98753
predicted
DeepCCS 1.0 (2019)

Drug created at November 24, 2020 17:56 / Updated at February 21, 2021 18:55