Compound ID | 2200

Update compound information

TP0586532

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Lipopolysaccharide synthesis inhibitor. LpxC inhibitor
Target Pathogen: Active against carbapenem-resistant Enterobacteriaceae
Propensity to select resistant mutants: Yes
Description: Synthetic compound; does not contain hydroxamate moiety that produces non-specific activity by binding to human metalloenzymes
Institute where first reported: Taisho Pharmaceutical Co., Ltd
Year first mentioned: 2021
Development status: Experimental
Chemical structure(s):
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Molecular weight: 460.53
Iso. SMILES: C[C@@H](C1=NC=CN1CC2=NOC(=C2)C3=CC=C(C=C3)C#CC4[C@H]5[C@@H]4CN(C5)CCCC(=O)O)O
InChI Key: PULUMLQUYYSBOR-BOSCWZPRSA-N
Can. SMILES: C[C@@H](C1=NC=CN1CC2=NOC(=C2)C3=CC=C(C=C3)C#CC4[C@@H]5CN(CCCC(=O)O)C[C@H]45)O
InChI: InChI=1S/C26H28N4O4/c1-17(31)26-27-10-12-30(26)14-20-13-24(34-28-20)19-7-4-18(5-8-19)6-9-21-22-15-29(16-23(21)22)11-2-3-25(32)33/h4-5,7-8,10,12-13,17,21-23,31H,2-3,11,14-16H2,1H3,(H,32,33)/t17-,21?,22-,23+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/155294517
Guide to Pharmacology: TP0586532
Citations:
  • https://www.sciencedirect.com/science/article/abs/pii/S096808962030794X?via%3Dihub
  • https://www.nature.com/articles/s41429-021-00486-3
    • Patent: AU2019383674A1

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