Compound ID | 3666

Update compound information

N-(3-((1-(5-bromo-1h-indol-2-yl)ethyl)amino)propyl)-4,5-dichlorothiophene-2-carboxamide

Synonym(s): SCHEMBL22529400

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Cell wall synthesis inhibitor. MreB inhibitor, inhibits bacterial actin homolog MreB by disrupting ATP-dependent filament formation and elongasome organization, leading to defective cell wall synthesis, abnormal cell morphology.
Target Pathogen: Escherichia coli; Klebsiella pneumoniae; Pseudomonas aeruginosa; Acinetobacter baumannii
Description: Belongs to the TAXIS/Rutgers indole–thiophene carboxamide antibacterial series; MreB (bacterial actin homolog) inhibitors active in multiple Gram-negative bacteria.
Institute where first reported: The State University of New Jersey, TAXIS Pharmaceuticals
Year first mentioned: 2022
Highest development stage: Discovery
Development status: Experimental
Chemical structure(s):
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Molecular weight: 475.23
Iso. SMILES: CC(NCCCNC(=O)C1=CC(Cl)=C(Cl)S1)C2=CC3=CC(Br)=CC=C3N2
InChI Key: ZWEQLDUAQVVMTA-UHFFFAOYSA-N
Can. SMILES: CC(C1=CC2=C(C=CC(=C2)Br)N1)NCCCNC(=O)C3=CC(=C(Cl)S3)Cl
InChI: InChI=1S/C18H18BrCl2N3OS/c1-10(15-8-11-7-12(19)3-4-14(11)24-15)22-5-2-6-23-18(25)16-9-13(20)17(21)26-16/h3-4,7-10,22,24H,2,5-6H2,1H3,(H,23,25)
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/155191544
Citation: https://doi.org/10.1007/s00044-022-02967-y

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