LY86057 - Moligand™ , Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor, CAS No.L611675, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor

CAS: L611675 Cat. No.: L611675 PubChem CID: 13878025

GRADE & PURITY Moligand™

Synonyms

LY 86057;LY-86057

Storage

Room temperature

Specifications

Synonyms

LY 86057;LY-86057

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor

Names and Identifiers

• Canonical Smiles: CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C)O
• IUPAC Name: 3-hydroxybutan-2-yl 6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxylate
• InChIKey: GOHDSZGHAHFEHG-UHFFFAOYSA-N
• INCHI: 1S/C20H26N2O3/c1-11(23)12(2)25-20(24)14-7-16-15-5-4-6-17-19(15)13(9-21-17)8-18(16)22(3)10-14/h4-6,9,11-12,14,16,18,21,23H,7-8,10H2,1-3H3
• Isomeric SMILES: CC(C(C)OC(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C)O
• PubChem CID: 13878025

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Ergoline and derivatives
      • Subclass Lysergic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Ergoline and derivatives
• Subclass: Lysergic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lysergic acids and derivatives
• Alternative Parents: Indoloquinolines Benzoquinolines Pyrroloquinolines 3-alkylindoles Piperidinecarboxylic acids Isoindoles and derivatives Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Trialkylamines Secondary alcohols Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Lysergic acid or derivatives - Indoloquinoline - Benzoquinoline - Pyrroloquinoline - 3-alkylindole - Quinoline - Indole - Indole or derivatives - Isoindole or derivatives - Piperidinecarboxylic acid - Aralkylamine - Piperidine - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton.
• 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)

HTR2A Tclin 5-hydroxytryptamine receptor 2A (2 Activities)

Discover Target: HTR2A

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

HTR2B Tclin 5-hydroxytryptamine receptor 2B (1 Activities)

Discover Target: HTR2B

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

Mechanisms of Action