[³H]LY278584 - Moligand™ , Antagonist of 5-HT 3A, CAS No.H614161, Antagonist of 5-HT 3A

CAS: H614161 Cat. No.: H614161 PubChem CID: 5311254

GRADE & PURITY Moligand™

Synonyms

1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide|LY278584|BP4.879a|[3H]LY278584|Lopac-L-110|109216-58-2|GTPL4087|CHEMBL1315374|CHEMBL2448556|CHEMBL4225797|DTXSID401319123|PDSP2_001274|1-methyl-N-[(1R,5S)-8-methyl-8-aza

Storage

Room temperature

Specifications

Synonyms

1-methyl-N-[(1R, 5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide | LY278584 | BP4.879a | [3H]LY278584 | Lopac-L-110 | 109216-58-2 | GTPL4087 | CHEMBL1315374 | CHEMBL2448556 | CHEMBL4225797 | DTXSID401319123 | PDSP2_001274 | 1-methyl-N-[(1R, 5S)-8-methyl-8-aza

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of 5-HT 3A

Names and Identifiers

• Canonical Smiles: CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)c1nn(c2c1cccc2)C
• IUPAC Name: 1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
• InChIKey: DDHAJFBBJWHSBR-YHWZYXNKSA-N
• INCHI: 1S/C17H22N4O/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)16-14-5-3-4-6-15(14)21(2)19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)/t11?,12-,13+
• Isomeric SMILES: CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C
• PubChem CID: 5311254

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazole-3-carboxamides
• Alternative Parents: Tropane alkaloids Pyrazole-5-carboxamides 2-heteroaryl carboxamides Piperidines N-alkylpyrrolidines Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indazole-3-carboxamide - Tropane alkaloid - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - N-alkylpyrrolidine - Benzenoid - Piperidine - Pyrazole - Pyrrolidine - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indazole-3-carboxamides. These are aromatic compounds containing an indazole ring system that is substituted at the 3-position with a carboxamide 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)

HTR3A Tclin 5-hydroxytryptamine receptor 3A (1 Activities)

Discover Target: HTR3A

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