KW-3635 - Moligand™ , Antagonist of TP receptor, CAS No.K611365, Antagonist of TP receptor

CAS: K611365 Cat. No.: K611365 PubChem CID: 19088577

GRADE & PURITY Moligand™

Synonyms

KW3635

Storage

Room temperature

Specifications

Synonyms

KW3635

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of TP receptor

Names and Identifiers

• Canonical Smiles: [O-]C(=O)c1ccc2c(c1)/C(=C/Cn1cnc3c1cc(C)c(c3)C)/c1ccccc1CO2
• IUPAC Name: (11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate
• InChIKey: WZXFXUCKNJCHJG-ZVBGSRNCSA-M
• INCHI: 1S/C26H22N2O3/c1-16-11-23-24(12-17(16)2)28(15-27-23)10-9-21-20-6-4-3-5-19(20)14-31-25-8-7-18(26(29)30)13-22(21)25/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/p-1/b21-9+
• Isomeric SMILES: CC1=CC2=C(C=C1C)N(C=N2)C/C=C/3\C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)[O-]
• PubChem CID: 19088577

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxepines
      • Subclass Dibenzoxepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxepines
• Subclass: Dibenzoxepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzoxepines
• Alternative Parents: Benzimidazoles Alkyl aryl ethers N-substituted imidazoles Benzenoids Heteroaromatic compounds Carboxylic acid salts Oxacyclic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzoxepine - Benzimidazole - Alkyl aryl ether - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic anion - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
• 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)

TBXA2R Tclin Thromboxane A2 receptor (1 Activities)

Discover Target: TBXA2R

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