APV207095A - Moligand™ , Allosteric modulator of TRPM5, CAS No.A607698, Allosteric modulator of TRPM5

CAS: A607698 Cat. No.: A607698

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of TRPM5

Names and Identifiers

• Canonical Smiles: CN1/C(/SC2=C1C=CC=C2)=N/C(=S)NCC=C
• IUPAC Name: 1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enylthiourea
• InChIKey: XCGANXSUHYMPGJ-OWBHPGMISA-N
• INCHI: 1S/C12H13N3S2/c1-3-8-13-11(16)14-12-15(2)9-6-4-5-7-10(9)17-12/h3-7H,1,8H2,2H3,(H,13,16)/b14-12-
• Isomeric SMILES: CN1C2=CC=CC=C2SC1=NC(=S)NCC=C
• Reaxy-Rn: 51272541
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51272541&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Thiazoles Heteroaromatic compounds Isothioureas Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Isothiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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)