RO 116 1148 - Moligand™ , Antagonist of 5-HT 4 receptor, CAS No.R613232, Antagonist of 5-HT 4 receptor

CAS: R613232 Cat. No.: R613232 PubChem CID: 44391713

GRADE & PURITY Moligand™

Synonyms

RO 116-1148

Storage

Room temperature

Specifications

Synonyms

RO 116-1148

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of 5-HT 4 receptor

Names and Identifiers

• Canonical Smiles: CCCCN1CCC(CC1)CNC(=O)c1cccc2c1OCCO2
• IUPAC Name: N-[(1-butylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
• InChIKey: VBFBEYXWJLASJA-UHFFFAOYSA-N
• INCHI: 1S/C19H28N2O3/c1-2-3-9-21-10-7-15(8-11-21)14-20-19(22)16-5-4-6-17-18(16)24-13-12-23-17/h4-6,15H,2-3,7-14H2,1H3,(H,20,22)
• Isomeric SMILES: CCCCN1CCC(CC1)CNC(=O)C2=C3C(=CC=C2)OCCO3
• PubChem CID: 44391713

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Alkyl aryl ethers Piperidines Para dioxins Benzenoids Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Alkyl aryl ether - Para-dioxin - Piperidine - Benzenoid - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
• 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

Associated Targets(Human)

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)

HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

Discover Target: HTR4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action