(3Z)-5-(2-chloroacetyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one - Moligand™ , Inhibitor of NIMA related kinase 2, CAS No.Z609077, Inhibitor of NIMA related kinase 2

CAS: Z609077 Cat. No.: Z609077 PubChem CID: 16662746

GRADE & PURITY Moligand™

Synonyms

compound 2

Storage

Room temperature

Specifications

Synonyms

compound 2

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of NIMA related kinase 2

Names and Identifiers

• Canonical Smiles: ClCC(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2
• IUPAC Name: (3Z)-5-(2-chloroacetyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
• InChIKey: SEPHEVMRHYRRLS-GHXNOFRVSA-N
• INCHI: 1S/C15H11ClN2O2/c16-8-14(19)9-3-4-13-11(6-9)12(15(20)18-13)7-10-2-1-5-17-10/h1-7,17H,8H2,(H,18,20)/b12-7-
• Isomeric SMILES: C1=CNC(=C1)/C=C\2/C3=C(C=CC(=C3)C(=O)CCl)NC2=O
• PubChem CID: 16662746

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Aryl alkyl ketones Substituted pyrroles Benzenoids Heteroaromatic compounds Alpha-chloroketones Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Aryl ketone - Aryl alkyl ketone - Substituted pyrrole - Benzenoid - Alpha-haloketone - Pyrrole - Alpha-chloroketone - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Alkyl halide - Alkyl chloride - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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)

NEK2 Tchem Serine/threonine-protein kinase Nek2 (1 Activities)

Discover Target: NEK2

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

NEK2 Tchem Serine/threonine-protein kinase NEK2 (3514 Activities)

Discover Target: NEK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A549 (127892 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action