Picloxydine
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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
- Picloxydine
- DrugBank Accession Number
- DB13607
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 475.38
Monoisotopic: 474.1562462 - Chemical Formula
- C20H24Cl2N10
- Synonyms
- Picloxidina
- Picloxydine
- Picloxydinum
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
- ATC Codes
- S01AX16 — Picloxydine
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Halobenzenes
- Direct Parent
- Chlorobenzenes
- Alternative Parents
- Biguanides / Piperazines / Aryl chlorides / Propargyl-type 1,3-dipolar organic compounds / Carboximidamides / Azacyclic compounds / Organopnictogen compounds / Organochlorides / Imines / Hydrocarbon derivatives
- Substituents
- 1,4-diazinane / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Biguanide / Carboximidamide / Chlorobenzene / Guanidine / Hydrocarbon derivative
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4YC2PY3AEU
- CAS number
- 5636-92-0
- InChI Key
- YNCLPFSAZFGQCD-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H24Cl2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
- IUPAC Name
- N-(4-chlorophenyl)-N'-(4-{[N'-(4-chlorophenyl)carbamimidamido]methanimidoyl}piperazine-1-carboximidoyl)guanidine
- SMILES
- ClC1=CC=C(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 64722
- BindingDB
- 50210775
- ChEBI
- 135768
- ChEMBL
- CHEMBL2104722
- ZINC
- ZINC000030691566
- Wikipedia
- Picloxydine
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 0.0577 mg/mL ALOGPS logP 0.33 ALOGPS logP 3.4 Chemaxon logS -3.9 ALOGPS pKa (Strongest Basic) 10.07 Chemaxon Physiological Charge 4 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 150 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 171.62 m3·mol-1 Chemaxon Polarizability 47.38 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No 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 splash10-004i-0003900000-37c0206880915c5f0061 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0089-9000700000-1484b0d54df057e75058 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-054k-0009700000-46cebc630240127f5bbf Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000y-7719300000-bf2aa86c4c99a480f08a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-7920100000-7cde153d8dcde1c277a3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fvs-0912300000-55655540acffacc6e35b 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]- 212.00883 predictedDeepCCS 1.0 (2019) [M+H]+ 214.36685 predictedDeepCCS 1.0 (2019) [M+Na]+ 220.46 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:45 / Updated at February 21, 2021 18:54