PD-307243 - Moligand™ , Activator of K v11.1, CAS No.P612662, Activator of K v11.1

CAS: P612662 Cat. No.: P612662 PubChem CID: 54440733

GRADE & PURITY Moligand™

Synonyms

PD 307243;PD307243

Storage

Room temperature

Specifications

Synonyms

PD 307243;PD307243

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of K v11.1

Names and Identifiers

• Canonical Smiles: OC(=O)c1cccnc1Nc1ccc2c(c1)CN(C2)c1ccc(c(c1)Cl)Cl
• IUPAC Name: 2-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]pyridine-3-carboxylic acid
• InChIKey: WNXIPCSWXVTKQF-UHFFFAOYSA-N
• INCHI: 1S/C20H15Cl2N3O2/c21-17-6-5-15(9-18(17)22)25-10-12-3-4-14(8-13(12)11-25)24-19-16(20(26)27)2-1-7-23-19/h1-9H,10-11H2,(H,23,24)(H,26,27)
• Isomeric SMILES: C1C2=C(CN1C3=CC(=C(C=C3)Cl)Cl)C=C(C=C2)NC4=C(C=CC=N4)C(=O)O
• PubChem CID: 54440733

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindoles
• Alternative Parents: Pyridinecarboxylic acids Isoindolines Aniline and substituted anilines Dialkylarylamines Dichlorobenzenes Aminopyridines and derivatives Aralkylamines Aryl chlorides Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindoline - Isoindole - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1,2-dichlorobenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyridine - Aralkylamine - Chlorobenzene - Halobenzene - Imidolactam - Benzenoid - Pyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
• 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)