Compound ID | 2441

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Polyaminoisoprenyl derivative 5r/doxycycline combination

Class: Small molecule antibacterial agent

Agent Type: Semisynthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Membrane-active agent. Disrupts outer membrane integrity and impairs AcrAB-TolC pump
Target Pathogen: Active against Enterobacter and Salmonella
Description: Synthetic compound with a portion based on the natural product geraniol
Year first mentioned: 2020
Development status: Experimental
Chemical structure(s):
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Molecular weight: 324.55
Iso. SMILES: C/C(/CC/C=C(/C)\C)=C/CNCCCN(CCCN)CCCN
InChI Key: KEPABEGBSVHEHB-GRSHGNNSSA-N
Can. SMILES: C/C(=C/CC/C(=C\CNCCCN(CCCN)CCCN)/C)/C
InChI: InChI=1S/C19H40N4/c1-18(2)8-4-9-19(3)10-14-22-13-7-17-23(15-5-11-20)16-6-12-21/h8,10,22H,4-7,9,11-17,20-21H2,1-3H3/b19-10-
External links:
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c01335

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