DAU 6285 - Moligand™ , Antagonist of 5-HT 4 receptor, CAS No.127595-33-9, Antagonist of 5-HT 4 receptor

CAS: 127595-33-9 Cat. No.: D609747 PubChem CID: 129928

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

ANTAGONIST

作用メカニズム

Antagonist of 5-HT 4 receptor

名前と識別子

• カノニカル・スマイル: COc1ccc2c(c1)n(C(=O)OC1CC3CCC(C1)N3C)c(=O)[nH]2
• IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylate
• InChIKey: HKBNGEJJECJLOW-UHFFFAOYSA-N
• INCHI: 1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)
• 異性体SMILES: CN1C2CCC1CC(C2)OC(=O)N3C4=C(C=CC(=C4)OC)NC3=O
• PubChem CID: 129928

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 分類 Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 分類: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Benzimidazoles Anisoles Carbonylimidazoles Alkyl aryl ethers Piperidines N-substituted imidazoles N-alkylpyrrolidines Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tropane alkaloid - Benzimidazole - Anisole - Alkyl aryl ether - Imidazole-1-carbonyl group - Piperidine - N-alkylpyrrolidine - Benzenoid - N-substituted imidazole - Azole - Pyrrolidine - Imidazole - Heteroaromatic compound - Carbonic acid derivative - Urea - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
• 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）

HTR4 Tclin 5-hydroxytryptamine receptor 4 (2 Activities)

Discover Target: HTR4

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