LY314228 - Moligand™ , Antagonist of 5-HT 2A receptor, CAS No.182633-54-1, Antagonist of 5-HT 2A receptor

CAS: 182633-54-1 Cat. No.: L611647 PubChem CID: 9976312

GRADE & PURITY Moligand™

Synonyms

LY 314228;LY-314228

Storage

Room temperature

Specifications

Synonyms

LY 314228;LY-314228

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of 5-HT 2A receptor

Names and Identifiers

• Canonical Smiles: CCCc1c(COc2ccc(cc2)/C=N/N=C(N)N)ccc(c1O)C(=O)C
• IUPAC Name: 2-[[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]methylideneamino]guanidine
• InChIKey: TUXHQPAMNGTVLT-FOKLQQMPSA-N
• INCHI: 1S/C20H24N4O3/c1-3-4-18-15(7-10-17(13(2)25)19(18)26)12-27-16-8-5-14(6-9-16)11-23-24-20(21)22/h5-11,26H,3-4,12H2,1-2H3,(H4,21,22,24)/b23-11+
• Isomeric SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)COC2=CC=C(C=C2)/C=N/N=C(N)N
• PubChem CID: 9976312

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpropanes Acetophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Guanidines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Guanidine - Ether - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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 (1 Activities)

Discover Target: HTR2A

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