GSK2646264 - Moligand™ , Inhibitor of aurora kinase A;Inhibitor of aurora kinase B;Inhibitor of glycogen synthase kinase 3 beta;Inhibitor of Janus kinase 2;Inhibitor of kinase insert domain receptor;Inhibitor of LCK proto-oncogene; Src family tyrosine kin, Inhibitor of aurora kinase A;Inhibitor of aurora kinase B;Inhibitor of glycogen synthase kinase 3 beta;Inhibitor of Janus kinase 2;Inhibitor of kinase insert domain receptor;Inhibitor of LCK proto-oncogene; Src family tyrosine kinase;Inhibitor of leucine

CAS: G610707 Cat. No.: G610707 PubChem CID: 137321148

GRADE & PURITY Moligand™

Synonyms

compound 44

Storage

Room temperature

Specifications

Synonyms

compound 44

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of aurora kinase A;Inhibitor of aurora kinase B;Inhibitor of glycogen synthase kinase 3 beta;Inhibitor of Janus kinase 2;Inhibitor of kinase insert domain receptor;Inhibitor of LCK proto-oncogene; Src family tyrosine kinase;Inhibitor of leucine

Names and Identifiers

• Canonical Smiles: COc1cccc(c1C1=CC2C(C=C1)CCNCC2)OCc1nccc(c1)C
• IUPAC Name: 7-{2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl}-2,3,4,5,5a,9a-hexahydro-1H-3-benzazepine
• InChIKey: CQLSAYKHANAIMX-UHFFFAOYSA-N
• INCHI: 1S/C24H28N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,18-19,25H,9-12,16H2,1-2H3
• PubChem CID: 137321148

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: Phenoxy compounds Methoxybenzenes Anisoles Methylpyridines Azepanes Alkyl aryl ethers Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Methylpyridine - Azepane - Alkyl aryl ether - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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)

SYK Tclin Tyrosine-protein kinase SYK (1 Activities)

Discover Target: SYK

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

LCK Tclin Tyrosine-protein kinase Lck (1 Activities)

Discover Target: LCK

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

LRRK2 Tchem Leucine-rich repeat serine/threonine-protein kinase 2 (1 Activities)

Discover Target: LRRK2

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

AURKA Tchem Aurora kinase A (1 Activities)

Discover Target: AURKA

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

AURKB Tchem Aurora kinase B (1 Activities)

Discover Target: AURKB

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

KDR Tclin Vascular endothelial growth factor receptor 2 (1 Activities)

Discover Target: KDR

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

GSK3B Tclin Glycogen synthase kinase-3 beta (1 Activities)

Discover Target: GSK3B

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

JAK2 Tclin Tyrosine-protein kinase JAK2 (1 Activities)

Discover Target: JAK2

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