PTeB - Moligand™ , Allosteric modulator of mGlu 5 receptor, CAS No.P613002, Allosteric modulator of mGlu 5 receptor

CAS: P613002 Cat. No.: P613002 PubChem CID: 1019881

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: O=C([C@H](Oc1ccc(cc1)C)C)Nc1ccc(cc1)C(=O)c1ccccc1
• IUPAC Name: (2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide
• InChIKey: XTAVVOHMWNRQKS-QGZVFWFLSA-N
• INCHI: 1S/C23H21NO3/c1-16-8-14-21(15-9-16)27-17(2)23(26)24-20-12-10-19(11-13-20)22(25)18-6-4-3-5-7-18/h3-15,17H,1-2H3,(H,24,26)/t17-/m1/s1
• 異性体SMILES: CC1=CC=C(C=C1)O[C@H](C)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
• PubChem CID: 1019881

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Anilides Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives Toluenes Alkyl aryl ethers Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Anilide - Phenoxy compound - Benzoyl - Aryl ketone - N-arylamide - Phenol ether - Alkyl aryl ether - Toluene - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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)