PXS-5505
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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
- PXS-5505
- DrugBank Accession Number
- DB17510
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 280.32
Monoisotopic: 280.068177004 - Chemical Formula
- C13H13FN2O2S
- Synonyms
- 2-buten-1-amine, 3-fluoro-4-(8-quinolinylsulfonyl)-, (2z)-
- External IDs
- PXS 5505
- PXS-5505
- PXS5505
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- DO94E28WYW
- CAS number
- 2409963-83-1
- InChI Key
- DHXXLGDTPFPYRH-WDZFZDKYSA-N
- InChI
- InChI=1S/C13H13FN2O2S/c14-11(6-7-15)9-19(17,18)12-5-1-3-10-4-2-8-16-13(10)12/h1-6,8H,7,9,15H2/b11-6-
- IUPAC Name
- (2Z)-3-fluoro-4-(quinoline-8-sulfonyl)but-2-en-1-amine
- SMILES
- NC\C=C(/F)CS(=O)(=O)C1=C2N=CC=CC2=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 114879529
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Recruiting Treatment Myelofibrosis 1 1, 2 Withdrawn Treatment Hepatocellular Carcinoma / Liver Cancer 1
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 0.151 mg/mL ALOGPS logP 0.88 ALOGPS logP 0.63 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 13.36 Chemaxon pKa (Strongest Basic) 9.49 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 73.05 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 71.88 m3·mol-1 Chemaxon Polarizability 26.41 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at February 09, 2023 23:01 / Updated at September 12, 2023 18:32