LY456066 - Moligand™ , Allosteric modulator of mGlu 1 receptor, CAS No.338738-66-2, Allosteric modulator of mGlu 1 receptor

CAS: 338738-66-2 Cat. No.: L611666 PubChem CID: 9840951

GRADE & PURITY Moligand™

Synonyms

LY 456066;LY-456066

Storage

Room temperature

Specifications

Synonyms

LY 456066;LY-456066

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of mGlu 1 receptor

Names and Identifiers

• Canonical Smiles: OCCSc1nc(NC2Cc3c(C2)cccc3)c2c(n1)CCCC2
• IUPAC Name: 2-({4-[(2,3-dihydro-1H-inden-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl}sulfanyl)ethan-1-ol
• InChIKey: VZJHTQZXSTXJNO-UHFFFAOYSA-N
• INCHI: 1S/C19H23N3OS/c23-9-10-24-19-21-17-8-4-3-7-16(17)18(22-19)20-15-11-13-5-1-2-6-14(13)12-15/h1-2,5-6,15,23H,3-4,7-12H2,(H,20,21,22)
• Isomeric SMILES: C1CCC2=C(C1)C(=NC(=N2)SCCO)NC3CC4=CC=CC=C4C3
• PubChem CID: 9840951

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Indanes Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary alcohols Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Indane - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Azacycle - Thioether - Sulfenyl compound - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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)

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

Mechanisms of Action