Cloxyquin
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 2715
- BindingDB
- 76305
- ChEBI
- 134818
- ChEMBL
- CHEMBL225164
- ZINC
- ZINC000000001209
- PDBe Ligand
- HZQ
- PDB Entries
- 6qeh / 7dl4
Clinical Trials
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
Property Value Source Water Solubility 0.833 mg/mL ALOGPS logP 2.72 ALOGPS logP 2.43 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 8.37 Chemaxon pKa (Strongest Basic) 4.01 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 33.12 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 46.76 m3·mol-1 Chemaxon Polarizability 17.03 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0900000000-4a73480b306aee6bd42e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0900000000-2f93ef7cf0694e90f9fe Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0900000000-7957d849998254d25ff2 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0fb9-0900000000-dbd18d7e98b99d63a6fc Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0ue9-1900000000-3c34f98ffb5bdc262c46 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9100000000-d21e9070859dda80af7c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 130.89537 predictedDeepCCS 1.0 (2019) [M+H]+ 133.77893 predictedDeepCCS 1.0 (2019) [M+Na]+ 142.98753 predictedDeepCCS 1.0 (2019)
Drug created at November 24, 2020 17:56 / Updated at February 21, 2021 18:55