Azintamide
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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
- Azintamide
- DrugBank Accession Number
- DB13992
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 259.75
Monoisotopic: 259.054611 - Chemical Formula
- C10H14ClN3OS
- Synonyms
- Azintamid
- Azintamida
- Azintamide
- Azintamidum
- Oragallin
- External IDs
- ST 9067
- ST-9067
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
- ACZ6L64B41
- CAS number
- 1830-32-6
- InChI Key
- SSLKKMZJCJBOML-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3
- IUPAC Name
- 2-[(6-chloropyridazin-3-yl)sulfanyl]-N,N-diethylacetamide
- SMILES
- CCN(CC)C(=O)CSC1=CC=C(Cl)N=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 64258
- 402580
- ChEBI
- 135068
- ChEMBL
- CHEMBL2104678
- ZINC
- ZINC000000000984
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Not Yet Recruiting Treatment Patients With Dyspeptic Symptoms After Cholecystectomy 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.705 mg/mL ALOGPS logP 2.12 ALOGPS logP 1.34 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 18.8 Chemaxon pKa (Strongest Basic) -0.022 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 46.09 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 70.05 m3·mol-1 Chemaxon Polarizability 26.36 Å3 Chemaxon Number of Rings 1 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-01p9-0960000000-08d3208674d9275144e0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-08g1-4960000000-6c04eca56b4297ee9a64 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4l-1970000000-b7a98ff3140796e01c8e Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-052b-2900000000-d5b037d200742138f392 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0900000000-b0d03894f20596b5b411 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001l-9100000000-c0221909cdacf3b7cca5 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]- 149.84755 predictedDeepCCS 1.0 (2019) [M+H]+ 152.20557 predictedDeepCCS 1.0 (2019) [M+Na]+ 158.40941 predictedDeepCCS 1.0 (2019)
Drug created at February 22, 2018 16:35 / Updated at February 21, 2021 18:54