5-MPEP - Moligand™ , Allosteric modulator of mGlu 5 receptor, CAS No.124300-38-5, Allosteric modulator of mGlu 5 receptor

CAS: 124300-38-5 Cat. No.: M607231 分子式: C₁₄H₁₁N 分子量: 193.24 PubChem CID: 14343211

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

ALLOSTERIC MODULATOR

作用メカニズム

Allosteric modulator of mGlu 5 receptor

名前と識別子

• カノニカル・スマイル: CC1=CN=C(C=C1)C#CC2=CC=CC=C2
• IUPAC Name: 5-methyl-2-(2-phenylethynyl)pyridine
• InChIKey: HESJPHOOGDBABM-UHFFFAOYSA-N
• INCHI: 1S/C14H11N/c1-12-7-9-14(15-11-12)10-8-13-5-3-2-4-6-13/h2-7,9,11H,1H3
• 異性体SMILES: CC1=CN=C(C=C1)C#CC2=CC=CC=C2
• PubChem CID: 14343211
• 分子量: 193.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

GRM5 Tchem Metabotropic glutamate receptor 5 (1 Activities)

Discover Target: GRM5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

化学的性質と物理的性質

• 分子量: 193.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 193.089 Da
• Monoisotopic Mass: 193.089 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 251.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1