2-[4-(3-chlorobenzoyl)phenoxy]-N-(pyridin-3-yl)acetamide - Moligand™ , Allosteric modulator of K v11.1, CAS No.C611611, Allosteric modulator of K v11.1

CAS: C611611 Cat. No.: C611611 PubChem CID: 127042386

GRADE & PURITY Moligand™

Synonyms

compound 7i | 7244

Storage

Room temperature

Specifications

Synonyms

compound 7i | 7244

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of K v11.1

Names and Identifiers

• Canonical Smiles: O=C(Nc1cccnc1)COc1ccc(cc1)C(=O)c1cccc(c1)Cl
• IUPAC Name: 2-[4-(3-chlorobenzoyl)phenoxy]-N-(pyridin-3-yl)acetamide
• InChIKey: KKKJYDOHVKIIQP-UHFFFAOYSA-N
• INCHI: 1S/C20H15ClN2O3/c21-16-4-1-3-15(11-16)20(25)14-6-8-18(9-7-14)26-13-19(24)23-17-5-2-10-22-12-17/h1-12H,13H2,(H,23,24)
• Isomeric SMILES: C1=CC(=CC(=C1)Cl)C(=O)C2=CC=C(C=C2)OCC(=O)NC3=CN=CC=C3
• PubChem CID: 127042386

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Aryl-phenylketones Diphenylmethanes Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Aryl ketone - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Ketone - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (0 Activities)

Discover Target: KCNH2

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

Mechanisms of Action