13-(dimethylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one - Moligand™ , Allosteric modulator of mGlu 1 receptor, CAS No.D609477, Allosteric modulator of mGlu 1 receptor

CAS: D609477 Cat. No.: D609477 PubChem CID: 16118119

GRADE & PURITY Moligand™

Synonyms

compound 9a

Storage

Room temperature

Specifications

Sinónimos

compound 9a

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)n1ccc2c(c1=O)sc1c2c(ccn1)N(C)C
• IUPAC Name: 13-(dimethylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one
• InChIKey: KBKYZXCTHJUCOC-UHFFFAOYSA-N
• INCHI: 1S/C19H17N3O2S/c1-21(2)15-8-10-20-18-16(15)14-9-11-22(19(23)17(14)25-18)12-4-6-13(24-3)7-5-12/h4-11H,1-3H3
• Isómeros SMILES: CN(C)C1=C2C3=C(C(=O)N(C=C3)C4=CC=C(C=C4)OC)SC2=NC=C1
• PubChem CID: 16118119

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thienopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thienopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyridines
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Pyridinones Aminopyridines and derivatives Alkyl aryl ethers Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Methoxyaniline - Thienopyridine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aminopyridine - Pyridinone - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Thiophene - Lactam - Tertiary amine - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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 (3 Activities)

Discover Target: GRM1

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

GRM1 Tchem Metabotropic glutamate receptor 1 (2309 Activities)

Discover Target: GRM1

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

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

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

Mecanismos de acción