Compound ID | 1538

Update compound information

DS60182922

Class: MraY inhibitor (nucleoside antibiotic)

Spectrum of activity: Gram-positive
Details of activity: Interferes with cell-wall synthesis by inhibiting transfer of the peptidoglycan precursor moiety (MurNAc-pentapeptide) to the membrane lipid carrier, undecaprenyl phosphate. Active against Staphylococcus
Description: Muraminomicin derivative
Institute where first reported: Medicinal Chemistry Research Laboratories, Daiichi Sankyo Co., Ltd., Tokyo, Japan
Year first mentioned: 2019
Highest developmental phase: Preclinical
Chemical structure(s):
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Molecular weight: 916.07
Iso. SMILES: CN1C(C([C@@H](OC2OC(CN)C(O)C2)[C@@H]3[C@@H](O)C[C@H](N4C=CC(NC4=O)=O)O3)N(C)CC(OC(CN(C(C5=CC=C(CCN)C=C5)=O)CCCCCCCCCCCC)=O)C1C(O)=O)=O
InChI Key: FCZLBOOHNOYNHH-ZUTYPLEISA-N
Can. SMILES: CCCCCCCCCCCCN(CC(=O)OC1CN(C)C([C@H]([C@@H]2[C@H](C[C@H](N3C=CC(=O)NC3=O)O2)O)OC4CC(C(CN)O4)O)C(=O)N(C)C1C(=O)O)C(=O)C5=CC=C(C=C5)CCN
InChI: InChI=1S/C45H69N7O13/c1-4-5-6-7-8-9-10-11-12-13-21-51(42(57)29-16-14-28(15-17-29)18-20-46)27-36(56)62-33-26-49(2)39(43(58)50(3)38(33)44(59)60)41(65-37-24-30(53)32(25-47)63-37)40-31(54)23-35(64-40)52-22-19-34(55)48-45(52)61/h14-17,19,22,30-33,35,37-41,53-54H,4-13,18,20-21,23-27,46-47H2,1-3H3,(H,59,60)(H,48,55,61)/t30?,31-,32?,33?,35+,37?,38?,39?,40-,41+/m0/s1
External links:
Citation: https://www.nature.com/articles/s41429-019-0235-3

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