Compound ID | 2920

Update compound information

YFJ-36 (compound 86b)

Class: Beta-lactam

Agent Type: Semisynthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Cell wall synthesis inhibitor
Target Pathogen: Active against Escherichia coli, Acinetobacter baumannii, Klebsiella pneumoniae, and Pseudomonas aeruginosa
Description: Semisynthetic compound; catechol-conjugated beta-lactam; shows stronger iron-chelating capacity than cefiderocol; in vivo efficacy is comparable to cefiderocol in Acinetobacter baumannii infection in mice
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 805.25
Iso. SMILES: NC1=NC(/C(/C(N[C@@H]2C(N3[C@@H]2SCC(CSCCNC(C4=C(Cl)C(O)=C(O)C=C4)=O)=C3C(O)=O)=O)=O)=N/O[C@H](C5CCC(F)(F)CC5)C(O)=O)=CS1
InChI Key: MYVYPWYPWLSQLQ-GGKFGTQRSA-N
Can. SMILES: C1=C(C(=C(C(=C1)O)O)Cl)C(=O)NCCSCC2=C(C(=O)O)N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\O[C@H](C4CCC(CC4)(F)F)C(=O)O)/C5=CSC(=N5)N
InChI: InChI=1S/C30H31ClF2N6O10S3/c31-17-14(1-2-16(40)21(17)41)23(42)35-7-8-50-9-13-10-51-26-19(25(44)39(26)20(13)27(45)46)37-24(43)18(15-11-52-29(34)36-15)38-49-22(28(47)48)12-3-5-30(32,33)6-4-12/h1-2,11-12,19,22,26,40-41H,3-10H2,(H2,34,36)(H,35,42)(H,37,43)(H,45,46)(H,47,48)/b38-18-/t19-,22-,26-/m1/s1
External links:
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.4c00265

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