EM-TBPC - Moligand™ , Allosteric modulator of mGlu 1 receptor, CAS No.E610113, Allosteric modulator of mGlu 1 receptor

CAS: E610113 Cat. No.: E610113 PubChem CID: 9904703

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

ALLOSTERIC MODULATOR

Mécanisme d'action

Allosteric modulator of mGlu 1 receptor

Noms et identifiants

Sourires canoniques

CCn1c(C)nc(c(c1=O)C#N)N1CCc2c(CC1)cccc2

IUPAC Name

1-ethyl-2-methyl-6-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)-1,6-dihydropyrimidine-5-carbonitrile

InChIKey

QNUVWRAGDSGAKX-UHFFFAOYSA-N

INCHI

1S/C18H20N4O/c1-3-22-13(2)20-17(16(12-19)18(22)23)21-10-8-14-6-4-5-7-15(14)9-11-21/h4-7H,3,8-11H2,1-2H3

Isomères SMILES

CCN1C(=NC(=C(C1=O)C#N)N2CCC3=CC=CC=C3CC2)C

PubChem CID

9904703

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzazepines
• Alternative Parents: Dialkylarylamines Pyrimidones Azepines Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Dialkylarylamine - Aminopyrimidine - Azepine - Pyrimidone - Hydropyrimidine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Lactam - Nitrile - Carbonitrile - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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

Cibles associées (humaines)

GRM1 Tchem Metabotropic glutamate receptor 1 (2 Activities)

Discover Target: GRM1

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