Compound ID | 2807

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MSU-43085

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Antimycobacterial
Mechanism of action: Mycolic acid synthesis inhibitor. MmpL3 (mycolate flippase) inhibitor
Target Pathogen: Active against monodrug-resistant and -susceptible Mycobacterium tuberculosis and nontuberculous mycobacteria
Description: Synthetic compound; derived from previously identified MmpL3 inhibitor HC2099; efficacious in treating acute Mycobacterium tuberculosis infection in vivo in mice but not in chronic infection
Institute where first reported: Department of Microbiology and Molecular Genetics, Michigan State University, East Lansing, Michigan, USA
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 342.26
Iso. SMILES: O=C(CCC1=NC2=C(N1)C=C(Cl)C(Cl)=C2)N(C(C)C)C(C)C
InChI Key: BAVFACORFVFPPH-UHFFFAOYSA-N
Can. SMILES: CC(C)N(C(C)C)C(=O)CCC1=NC2=C(C=C(C(=C2)Cl)Cl)N1
InChI: InChI=1S/C16H21Cl2N3O/c1-9(2)21(10(3)4)16(22)6-5-15-19-13-7-11(17)12(18)8-14(13)20-15/h7-10H,5-6H2,1-4H3,(H,19,20)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/substance/488953618
Citations:
  • https://journals.asm.org/doi/10.1128/aac.00547-19
  • https://journals.asm.org/doi/10.1128/spectrum.03677-23

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