STX-107

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
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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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
AMetabotropic glutamate receptor 5
antagonist
Humans
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
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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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Product Ingredients
IngredientUNIICASInChI Key
STX-107 dihydrochloride70QU352PWMNot AvailableNETHQDSSQKPGHM-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
ChemSpider
17596016
BindingDB
109095
ChEMBL
CHEMBL3642985
ZINC
ZINC000043152990

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
2SuspendedTreatmentFragile X Syndrome1somestatusstop reasonjust information to hide
1CompletedTreatmentFragile X Syndrome1somestatusstop reasonjust information to hide
1CompletedTreatmentMGluR5 Receptors1somestatusstop reasonjust information to hide

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
PropertyValueSource
Water Solubility0.00871 mg/mLALOGPS
logP3.86ALOGPS
logP4.08Chemaxon
logS-4.6ALOGPS
pKa (Strongest Basic)2.15Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area49.57 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity81.72 m3·mol-1Chemaxon
Polarizability33.82 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Antagonist
General Function
G-protein coupled receptor for glutamate. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down-stream effectors. Signaling activates a phosphatidylinositol-calcium second messenger system and generates a calcium-activated chloride current. Plays an important role in the regulation of synaptic plasticity and the modulation of the neural network activity
Specific Function
A2A adenosine receptor binding
Gene Name
GRM5
Uniprot ID
P41594
Uniprot Name
Metabotropic glutamate receptor 5
Molecular Weight
132467.635 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Drug created at September 14, 2022 17:31 / Updated at August 27, 2024 19:17