2-{2-[3-fluoro-5-(pyridin-3-yloxy)phenyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine - Moligand™ , Allosteric modulator of mGlu 5 receptor, CAS No.F608635, Allosteric modulator of mGlu 5 receptor

CAS: F608635 Cat. No.: F608635 PubChem CID: 9967471

GRADE & PURITY Moligand™

Synonyms

compound 10

Storage

Room temperature

Specifications

Synonyms

compound 10

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of mGlu 5 receptor

Names and Identifiers

• Canonical Smiles: Fc1cc(Oc2cccnc2)cc(c1)n1nnc(n1)c1ccccn1
• IUPAC Name: 2-{2-[3-fluoro-5-(pyridin-3-yloxy)phenyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine
• InChIKey: IQSMPFFGKFZZMI-UHFFFAOYSA-N
• INCHI: 1S/C17H11FN6O/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H
• Isomeric SMILES: C1=CC=NC(=C1)C2=NN(N=N2)C3=CC(=CC(=C3)F)OC4=CN=CC=C4
• PubChem CID: 9967471

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Fluorobenzenes Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Phenyltetrazole - Phenoxy compound - Phenol ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl 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

Associated Targets(Human)

GRM5 Tchem Metabotropic glutamate receptor 5 (3 Activities)

Discover Target: GRM5

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

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

Mechanisms of Action