(R/S) EF-1500 - Moligand™ , Inhibitor of BGT1;Inhibitor of GAT1, CAS No.738562-57-7, Inhibitor of BGT1;Inhibitor of GAT1

CAS: 738562-57-7 Cat. No.: R613309 PubChem CID: 53319290

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of BGT1;Inhibitor of GAT1

Names and Identifiers

• Canonical Smiles: Cc1ccsc1C(=CCCNC1CCCc2c1c(O)no2)c1sccc1C
• IUPAC Name: 4-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]amino}-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
• InChIKey: TYXWOLAOXRISSO-UHFFFAOYSA-N
• INCHI: 1S/C21H24N2O2S2/c1-13-8-11-26-19(13)15(20-14(2)9-12-27-20)5-4-10-22-16-6-3-7-17-18(16)21(24)23-25-17/h5,8-9,11-12,16,22H,3-4,6-7,10H2,1-2H3,(H,23,24)
• Isomeric SMILES: CC1=C(SC=C1)C(=CCCNC2CCCC3=C2C(=O)NO3)C4=C(C=CS4)C
• PubChem CID: 53319290

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Thiophenes Isoxazoles Heteroaromatic compounds Lactams Oxacyclic compounds Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aralkylamine - Azole - Isoxazole - Thiophene - Heteroaromatic compound - Lactam - Oxacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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)

SLC6A12 Tchem Sodium- and chloride-dependent betaine transporter (1 Activities)

Discover Target: SLC6A12

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

SLC6A1 Tclin Sodium- and chloride-dependent GABA transporter 1 (0 Activities)

Discover Target: SLC6A1

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