Compound ID | 1539

Update compound information

DS14450354

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: 1004.18
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(CCNC(CCNCC5=CC=C(OCCCCCCC)C(OCCCCCCC)=C5)=O)=O)C1C(O)=O)=O
InChI Key: YLISZQPIEODVLS-OIPQEMQESA-N
Can. SMILES: CCCCCCCOC1=CC=C(C=C1OCCCCCCC)CNCCC(=O)NCCC(=O)OC2CN(C)C([C@H]([C@@H]3[C@H](C[C@H](N4C=CC(=O)NC4=O)O3)O)OC5CC(C(CN)O5)O)C(=O)N(C)C2C(=O)O
InChI: InChI=1S/C49H77N7O15/c1-5-7-9-11-13-23-66-34-16-15-31(25-35(34)67-24-14-12-10-8-6-2)29-51-20-17-38(59)52-21-18-41(61)68-37-30-54(3)44(47(62)55(4)43(37)48(63)64)46(71-42-27-32(57)36(28-50)69-42)45-33(58)26-40(70-45)56-22-19-39(60)53-49(56)65/h15-16,19,22,25,32-33,36-37,40,42-46,51,57-58H,5-14,17-18,20-21,23-24,26-30,50H2,1-4H3,(H,52,59)(H,63,64)(H,53,60,65)/t32?,33-,36?,37?,40+,42?,43?,44?,45-,46+/m0/s1
External links:
Citation: https://www.nature.com/articles/s41429-019-0235-3

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