Compound ID | 581

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Walkmycin C

Class: Small molecule antibacterial agent

Agent Type: Natural product; Small molecule; Direct acting; Antivirulence;
Spectrum of activity: Gram-positive
Mechanism of action: Histidine kinase inhibitor; inhibits the two component system WalK/ WalR, which is essential for cell wall metabolism
Target Pathogen: Active against Staphylococcus aureus
Description: Natural product from Streptomyces sp.; 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
Development status: Experimental
Chemical structure(s):
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Molecular weight: 881.75
Iso. SMILES: CCC(C)C1(C(C(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)C(=C6C(C(C(C(=O)C6=C5O)C)(C(C)C)O)/C(=C/C(=O)O)/OC)Cl)O)C(=C2C1/C(=C/C(=O)O)/OC)Cl)O)C)O
InChI Key: ZJPRFIXHXIMTND-MQDDAKQZSA-N
Can. SMILES: CCC(C)C1(C(C)C(=O)C2=C(C1/C(=C/C(=O)O)/OC)C(=C3C=CC(=C(C3=C2O)O)C4=CC=C5C(=C4O)C(=C6C(=C5Cl)C(/C(=C/C(=O)O)/OC)C(C(C)C)(C(C)C6=O)O)O)Cl)O
InChI: InChI=1S/C45H46Cl2O14/c1-9-17(4)45(59)19(6)39(53)33-31(35(45)25(61-8)15-27(50)51)37(47)23-13-11-21(41(55)29(23)43(33)57)20-10-12-22-28(40(20)54)42(56)32-30(36(22)46)34(24(60-7)14-26(48)49)44(58,16(2)3)18(5)38(32)52/h10-19,34-35,54-59H,9H2,1-8H3,(H,48,49)(H,50,51)/b24-14-,25-15-
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/101960866
Citations:
  • https://www.nature.com/articles/ja2009128.pdf
  • https://doi.org/10.1038/ja.2009.128

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