APV206690A - Moligand™ , Allosteric modulator of TRPM5, CAS No.A607695, Allosteric modulator of TRPM5

CAS: A607695 Cat. No.: A607695 PubChem CID: 21304318

GRADE & PURITY Moligand™

Synonyms

example 2 [WO2008024364A2]

Storage

Room temperature

Specifications

Synonyms

example 2 [WO2008024364A2]

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of TRPM5

Names and Identifiers

• Canonical Smiles: COC1=C(OCSC2=NC3=C(N2)C=CC=C3)C=CC=C1
• IUPAC Name: 2-[(2-methoxyphenoxy)methylsulfanyl]-1H-benzimidazole
• InChIKey: VWPMKWIMDYQBLH-UHFFFAOYSA-N
• INCHI: 1S/C15H14N2O2S/c1-18-13-8-4-5-9-14(13)19-10-20-15-16-11-6-2-3-7-12(11)17-15/h2-9H,10H2,1H3,(H,16,17)
• Isomeric SMILES: COC1=CC=CC=C1OCSC2=NC3=CC=CC=C3N2
• PubChem CID: 21304318

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Aryl thioethers Anisoles Alkyl aryl ethers Monothioacetals Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Monothioacetal - Azacycle - Sulfenyl compound - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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)

TRPM5 Tchem Transient receptor potential cation channel subfamily M member 5 (0 Activities)

Discover Target: TRPM5

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