CSTI-300 - Moligand™ , Agonist of 5-HT 3A;Agonist of 5-HT 3AB, CAS No.C609609, Agonist of 5-HT 3A;Agonist of 5-HT 3AB

CAS: C609609 Cat. No.: C609609 PubChem CID: 57989460

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 3A;Agonist of 5-HT 3AB

Names and Identifiers

• Canonical Smiles: O=C1N(CCc2c3c1cccc3n[nH]2)[C@@H]1CN2CCC1CC2
• InChIKey: WHLXDRXTKZLGFK-OAHLLOKOSA-N
• INCHI: 1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1
• Isomeric SMILES: C1CN2CCC1[C@@H](C2)N3CCC4=C5C(=NN4)C=CC=C5C3=O
• PubChem CID: 57989460

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzazepines
• Alternative Parents: Indazoles Quinuclidines Azepines Piperidines Benzenoids Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Benzopyrazole - Indazole - Quinuclidine - Azepine - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrazole - Azole - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
• 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)

HTR3B Tchem 5-hydroxytryptamine receptor 3B (0 Activities)

Discover Target: HTR3B

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

HTR3A Tclin 5-hydroxytryptamine receptor 3A (2 Activities)

Discover Target: HTR3A

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

Mechanisms of Action