ATB-346
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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
- ATB-346
- DrugBank Accession Number
- DB15377
- Background
ATB-346 is under investigation in clinical trial NCT03220633 (Study To Assess Safety, Tolerability And PK Of ATB-346 In Healthy Subjects).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 365.45
Monoisotopic: 365.10856465 - Chemical Formula
- C21H19NO3S
- Synonyms
- Not Available
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
- 3096O7WP53
- CAS number
- 1226895-20-0
- InChI Key
- YCNMAPLPQYQJFC-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)
- IUPAC Name
- 4-carbamothioylphenyl 2-(6-methoxynaphthalen-2-yl)propanoate
- SMILES
- COC1=CC2=CC=C(C=C2C=C1)C(C)C(=O)OC1=CC=C(C=C1)C(N)=S
References
- General References
- Not Available
- External Links
- ChemSpider
- 32490194
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Osteoarthritis (OA) 1 1 Completed Treatment Chronic Pain 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 0.000368 mg/mL ALOGPS logP 4.65 ALOGPS logP 4.53 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 12.45 Chemaxon pKa (Strongest Basic) -4.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 61.55 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 106.47 m3·mol-1 Chemaxon Polarizability 37.75 Å3 Chemaxon Number of Rings 3 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 splash10-0002-0119000000-3626d1983aeb486e81dd Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0uk9-0963000000-353773bf94732f6f5919 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01pa-0935000000-bb0b9dbdc1f3cafa3130 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0r0r-3935000000-bbe18caff17e52efe446 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0921000000-be2873a38c39041e4861 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0aor-6900000000-9481649a144a76c2f928 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 May 20, 2019 15:22 / Updated at June 12, 2020 16:53