Ibezapolstat
Star1
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ibezapolstat
- DrugBank Accession Number
- DB16189
- Background
Ibezapolstat is under investigation in clinical trial NCT04247542 (ACX-362E Ibezapolstat for Oral Treatment of Clostridioides Difficile Infection).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 423.3
Monoisotopic: 422.1024793 - Chemical Formula
- C18H20Cl2N6O2
- Synonyms
- Ibezapolstat
- External IDs
- ACX-362E
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
- 5K543KNC5P
- CAS number
- 1275582-97-2
- InChI Key
- DEGSGBKTODESHH-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H20Cl2N6O2/c19-13-2-1-12(9-14(13)20)10-21-18-23-16-15(17(27)24-18)26(11-22-16)4-3-25-5-7-28-8-6-25/h1-2,9,11H,3-8,10H2,(H2,21,23,24,27)
- IUPAC Name
- 2-{[(3,4-dichlorophenyl)methyl]amino}-7-[2-(morpholin-4-yl)ethyl]-6,7-dihydro-3H-purin-6-one
- SMILES
- ClC1=C(Cl)C=C(CNC2=NC(=O)C3=C(N2)N=CN3CCN2CCOCC2)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 78316804
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Clostridium Difficile Infection (CDI) 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 0.216 mg/mL ALOGPS logP 2.19 ALOGPS logP 2.64 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 13 Chemaxon pKa (Strongest Basic) 6.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 83.78 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 109.89 m3·mol-1 Chemaxon Polarizability 43.16 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 splash10-00di-0000900000-7eb9695997d3af57bf42 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-1012900000-8f81dbfea2ae410eb07b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00dr-0307900000-28d6ed01dc13793e5b80 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-05ir-4429300000-b4e4f4479000365196c0 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-2509100000-d34f1d841e3644cfd469 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9512000000-699b45b8b8b58273b608 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 December 15, 2020 18:15 / Updated at February 21, 2021 18:55