13-(4-methoxyphenyl)-10-thia-3,8,13,15-tetraazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2(6),7,14-tetraen-12-one - Moligand™ , Allosteric modulator of mGlu 1 receptor, CAS No.M608650, Allosteric modulator of mGlu 1 receptor

CAS: M608650 Cat. No.: M608650 PubChem CID: 73755209

GRADE & PURITY Moligand™

Synonyms

compound 11c

Storage

Room temperature

Specifications

Sinónimos

compound 11c

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of mGlu 1 receptor

Nombres e identificadores

• Sonrisas canónicas: COc1ccc(cc1)N1C=NC2C(C1=O)Sc1c2c2NCCc2cn1
• IUPAC Name: 13-(4-methoxyphenyl)-10-thia-3,8,13,15-tetraazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2(6),7,14-tetraen-12-one
• InChIKey: SIUQQICXQVLRLA-UHFFFAOYSA-N
• INCHI: 1S/C18H16N4O2S/c1-24-12-4-2-11(3-5-12)22-9-21-15-13-14-10(6-7-19-14)8-20-17(13)25-16(15)18(22)23/h2-5,8-9,15-16,19H,6-7H2,1H3
• Isómeros SMILES: COC1=CC=C(C=C1)N2C=NC3C(C2=O)SC4=NC=C5CCNC5=C34
• PubChem CID: 73755209

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers Alkylarylthioethers Aralkylamines Pyridines and derivatives Hydropyrimidines Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxamidines Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Methoxyaniline - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Secondary aliphatic/aromatic amine - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Thioether - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group.
• 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

Objetivos asociados (humanos)

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)