This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- STX-107
- DrugBank Accession Number
- DB16943
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for STX-107 (DB16943)
- Weight
- Average: 319.36
Monoisotopic: 319.057946671 - Chemical Formula
- C18H10FN3S
- Synonyms
- 3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile
- 3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl]benzonitrile
- External IDs
- STX-107
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Products
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Ingredient UNII CAS InChI Key STX-107 dihydrochloride 70QU352PWM Not Available NETHQDSSQKPGHM-UHFFFAOYSA-N
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- O55CA1TU5D
- CAS number
- 935685-90-8
- InChI Key
- SYOSUEIMOYEGKU-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H10FN3S/c1-12-22-17(11-23-12)4-2-13-3-5-18(21-10-13)15-6-14(9-20)7-16(19)8-15/h3,5-8,10-11H,1H3
- IUPAC Name
- 3-fluoro-5-{5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl}benzonitrile
- SMILES
- CC1=NC(=CS1)C#CC1=CC=C(N=C1)C1=CC(=CC(F)=C1)C#N
References
- General References
- Not Available
- External Links
- ChemSpider
- 17596016
- BindingDB
- 109095
- ChEMBL
- CHEMBL3642985
- ZINC
- ZINC000043152990
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Suspended Treatment Fragile X Syndrome 1 1 Completed Treatment Fragile X Syndrome 1 1 Completed Treatment MGluR5 Receptors 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 0.00871 mg/mL ALOGPS logP 3.86 ALOGPS logP 4.08 Chemaxon logS -4.6 ALOGPS pKa (Strongest Basic) 2.15 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 49.57 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 81.72 m3·mol-1 Chemaxon Polarizability 33.82 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 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 September 14, 2022 17:31 / Updated at December 13, 2022 10:46