Compound ID | 422

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ECO-0501

Class: Envelope-active compound (glycosylated polyketide)

Spectrum of activity: Gram-negative
Details of activity: Targets a component of cell wall or membrane; active against MRSA and VRE
Propensity to select resistant mutants: Yes, In MRSA, resistance at 4x MIC was <7E-11
Description: Data presented at the 44th Interscience Conference on Antimicrobial Agents and Chemotherapy (ICAAC-2004)
Institute where first reported: Ecopia Biosciences Inc (Thallion Pharmaceuticals, Canada)
Year first mentioned: 2004
Highest developmental phase: Preclinical
Development status: Inactive
Chemical structure(s):
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Molecular weight: 837.05
Iso. SMILES: CC(CCC/C=C/C(C)C/C=C/CCCN(C)C(=N)N)/C=C(\C)/C(C(C)/C=C/C=C/C=C/C=C/C=C(\C)/C(=O)NC1=C(CCC1=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI Key: JZUVOAOWVXOKMW-BRUGUNMHSA-N
Can. SMILES: CC(C/C=C/CCCN(C)C(=N)N)/C=C/CCCC(C)/C=C(\C)/C(C(C)/C=C/C=C/C=C/C=C/C=C(\C)/C(=O)NC1=C(CCC1=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O2)O)O)O
InChI: InChI=1S/C46H68N4O10/c1-30(21-15-12-13-20-28-50(6)46(47)48)22-16-14-17-23-31(2)29-34(5)41(59-45-40(55)38(53)39(54)42(60-45)44(57)58)32(3)24-18-10-8-7-9-11-19-25-33(4)43(56)49-37-35(51)26-27-36(37)52/h7-12,15-16,18-19,22,24-25,29-32,38-42,45,51,53-55H,13-14,17,20-21,23,26-28H2,1-6H3,(H3,47,48)(H,49,56)(H,57,58)/b9-7+,10-8+,15-12+,19-11+,22-16+,24-18+,33-25+,34-29+/t30?,31?,32?,38-,39-,40+,41?,42-,45+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/16109661
Citation: https://www.nature.com/articles/ja200674

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