MRK-409
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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
- MRK-409
- DrugBank Accession Number
- DB13993
- Background
MRK-409 is a GABA-A receptor agonist 1.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 397.39
Monoisotopic: 397.146264521 - Chemical Formula
- C19H17F2N7O
- Synonyms
- Not Available
- External IDs
- MK-0343
- MRK-409
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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with MRK-409. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with MRK-409. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with MRK-409. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with MRK-409. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with MRK-409. - Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9VSE02330I
- CAS number
- 233275-76-8
- InChI Key
- GOIFCXRIFSYPFG-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3
- IUPAC Name
- 5-({[7-cyclobutyl-3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}methyl)-1-methyl-1H-1,2,4-triazole
- SMILES
- CN1N=CN=C1COC1=NN2C(C=C1C1CCC1)=NN=C2C1=C(F)C=CC=C1F
References
- General References
- Atack JR, Wafford KA, Street LJ, Dawson GR, Tye S, Van Laere K, Bormans G, Sanabria-Bohorquez SM, De Lepeleire I, de Hoon JN, Van Hecken A, Burns HD, McKernan RM, Murphy MG, Hargreaves RJ: MRK-409 (MK-0343), a GABAA receptor subtype-selective partial agonist, is a non-sedating anxiolytic in preclinical species but causes sedation in humans. J Psychopharmacol. 2011 Mar;25(3):314-28. doi: 10.1177/0269881109354927. Epub 2010 Feb 10. [Article]
- External Links
- ChemSpider
- 11499267
- ZINC
- ZINC000095100106
Clinical Trials
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 0.0249 mg/mL ALOGPS logP 2.68 ALOGPS logP 3.2 Chemaxon logS -4.2 ALOGPS pKa (Strongest Basic) 1.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 83.02 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 135.31 m3·mol-1 Chemaxon Polarizability 38.76 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 splash10-0002-0009000000-219ecf13f1af22d807c4 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0019000000-505d949ff5143625f312 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0009000000-d356fcf8d70123dca42a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00rl-1009000000-c8b798850919d3235fef Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-016r-0019000000-479a2b213921015fa1ed Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0f72-4496000000-670df3698f2834597735 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 February 23, 2018 02:27 / Updated at June 12, 2020 16:53