Compound ID | 580

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Walkmycin B

Class: Histidine kinase inhibitor

Spectrum of activity: Gram-negative
Details of activity: Inhibits the two component system WalK/ WalR, which is essentual for cell wall metabolism in Bacillus subtilis and S. aureus. The MICs for Walkamycin B is 0.25 µg/ml
Description: Igarashi M, Eguchi Y, Umekita M, et al. Walkmycins, the Novel Histidine Kinase Inhibitors. 50th-ICAAC 2010
Institute where first reported: Inst. of Microbial Chemistry, Japan, Kinki Univ. Sch. of Agriculture, Japan.
Year first mentioned: 2010
Highest developmental phase: Preclinical
Development status: Inactive
Chemical structure(s):
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Molecular weight: 867.72
Iso. SMILES: CC1C(C(C2=C(C3=C(C(=C2C1=O)O)C(=C(C=C3)C4=C(C5=C(C(=C6C(=C5O)C(=O)C(C(C6/C(=C/C(=O)O)/OC)(O)C(C)C)C)Cl)C=C4)O)O)Cl)/C(=C/C(=O)O)/OC)(O)C(C)C
InChI Key: TZWOHQSVEBHXJJ-GACBQCINSA-N
Can. SMILES: CC(C)C1(C(C)C(=O)C2=C(C3=C(C(=CC=C3C(=C2C1/C(=C/C(=O)O)/OC)Cl)C4=C(C5=C(C6=C(C(/C(=C/C(=O)O)/OC)C(C(C)C)(C(C)C6=O)O)C(=C5C=C4)Cl)O)O)O)O)O
InChI: InChI=1S/C44H44Cl2O14/c1-15(2)43(57)17(5)37(51)31-29(33(43)23(59-7)13-25(47)48)35(45)21-11-9-19(39(53)27(21)41(31)55)20-10-12-22-28(40(20)54)42(56)32-30(36(22)46)34(24(60-8)14-26(49)50)44(58,16(3)4)18(6)38(32)52/h9-18,33-34,53-58H,1-8H3,(H,47,48)(H,49,50)/b23-13-,24-14-
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/101526085
Citations:
  • https://www.nature.com/articles/ja2009128.pdf
  • https://www.nature.com/articles/ja2009128

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