[³H]eletriptan - Moligand™ , Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor, CAS No.H614105, Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor

CAS: H614105 Cat. No.: H614105 PubChem CID: 53318014

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor

Names and Identifiers

• Canonical Smiles: C([3H])(N1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1)([3H])[3H]
• IUPAC Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-(tritritiomethyl)pyrrolidin-2-yl]methyl]-1H-indole
• InChIKey: PWVXXGRKLHYWKM-YWMWWHSFSA-N
• INCHI: 1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1/i1T3
• Isomeric SMILES: [3H]C([3H])([3H])N1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
• PubChem CID: 53318014

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Benzenesulfonyl compounds Aralkylamines Substituted pyrroles N-alkylpyrrolidines Sulfones Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Benzenesulfonyl group - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - N-alkylpyrrolidine - Pyrrole - Pyrrolidine - Heteroaromatic compound - Sulfone - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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)

HTR1B Tclin 5-hydroxytryptamine receptor 1B (1 Activities)

Discover Target: HTR1B

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

HTR1D Tclin 5-hydroxytryptamine receptor 1D (1 Activities)

Discover Target: HTR1D

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