Compound ID | 2223

Update compound information

Abaucin

Synonym(s): RS102895

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-negative
Details of activity: Active against Acinetobacter baumannii including multidrug- and pan-resistant strains; perturbs lipoprotein trafficking through a mechanism involving LolE (contributes to shuttling proteins from inner to outer membrane)
Propensity to select resistant mutants: Yes
Description: Synthetic compound from Drug Repurposing Hub molecules; machine learning-guided discovery
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 390.4
Iso. SMILES: C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F
InChI Key: HIDWEYPGMLIQSN-UHFFFAOYSA-N
Can. SMILES: C1=CC2=C(C=C1)NC(=O)OC32CCN(CCC4=CC=C(C=C4)C(F)(F)F)CC3
InChI: InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/10000456
Guide to Pharmacology: RS-102895
Citations:
  • https://academic.oup.com/ndt/article/28/7/1700/1855624?login=false
  • https://www.cell.com/cell/fulltext/S0092-8674(20)30102-1?_returnURL=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS0092867420301021%3Fshowall%3Dtrue
  • https://www.nature.com/articles/nm.4306
  • https://www.nature.com/articles/s41589-023-01349-8

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