This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- ST-101
- DrugBank Accession Number
- DB12621
- Background
ST101 has been used in trials studying the treatment of Essential Tremor and Alzheimer's Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for ST-101 (DB12621)
- Weight
- Average: 236.274
Monoisotopic: 236.094963014 - Chemical Formula
- C15H12N2O
- Synonyms
- Not Available
- External IDs
- ST101
- ZSET-1446
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as imidazopyridinones. These are compounds containing an imidazopyridine moiety where the pyridine ring bears a ketone group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Imidazopyridines
- Sub Class
- Imidazopyridinones
- Direct Parent
- Imidazopyridinones
- Alternative Parents
- Alpha amino acids and derivatives / Indanes / Pyridinones / Dihydropyridines / Imidazolinones / N-acylimines / Propargyl-type 1,3-dipolar organic compounds / Enamines / Carboximidamides / Carboxamidines show 4 more
- Substituents
- 2-imidazoline / Alpha-amino acid or derivatives / Amidine / Amine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboximidamide / Carboxylic acid amidine show 16 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7TTT61784C
- CAS number
- 887603-94-3
- InChI Key
- QZWYXEBIQWJXAR-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H12N2O/c18-14-15(17-8-4-3-7-13(17)16-14)9-11-5-1-2-6-12(11)10-15/h1-8H,9-10H2
- IUPAC Name
- 1',3'-dihydro-2H-spiro[imidazo[1,2-a]pyridine-3,2'-indene]-2-one
- SMILES
- O=C1N=C2C=CC=CN2C11CC2=CC=CC=C2C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 10220323
- PubChem Substance
- 347828833
- ChemSpider
- 8395815
- ZINC
- ZINC000001491487
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Alzheimer's Disease (AD) 2 2 Completed Treatment Essential Tremor 1 1, 2 Recruiting Treatment Brain Cancer / Breast Cancer / Glioblastoma Multiforme (GBM) / High Grade Glioma: Glioblastoma (GBM) / Metastatic Breast Cancer / Metastatic Melanoma / Metastatic Prostate Cancer / Newly diagnosed Glioblastoma Multiforme (GBM) / Prostate Cancer / Recurrent Glioblastoma / Recurrent Melanoma / Stage IV Melanoma 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 0.171 mg/mL ALOGPS logP 2.04 ALOGPS logP 1.84 Chemaxon logS -3.1 ALOGPS pKa (Strongest Basic) 0.23 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 32.67 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 70.59 m3·mol-1 Chemaxon Polarizability 25.05 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 23:15 / Updated at June 12, 2020 16:53