Compound ID | 3387

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Cefiderocol (QPX2014, S-649228) + Xeruborbactam (QPX7728)

Class: Beta-lactam (cephalosporin) + beta-lactamase inhibitor (boronic acid beta-lactamase inhibitor)

Spectrum of activity: Gram-negative
Details of activity: Active against Gram-negatives expressing metallo-beta-lactamase
Combined with other compounds: Yes
Description: Drug combination
Institute where first reported: Qpex Biopharma/Shionogi
Year first mentioned: 2023
Highest developmental phase: Phase 1 (NCT06547554)
Development status: Active
Chemical structure(s):
Cefiderocol
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Molecular weight: 752.22
Iso. SMILES: CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4(CCCC4)CCNC(=O)C5=C(C(=C(C=C5)O)O)Cl)C(=O)[O-]
InChI Key: DBPPRLRVDVJOCL-FQRUVTKNSA-N
Can. SMILES: CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@@H]2C(=O)N3C(=C(C[N+]4(CCCC4)CCNC(=O)C5=CC=C(C(=C5Cl)O)O)CS[C@H]23)C(=O)[O-]
InChI: InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1
Xeruborbactam
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Molecular weight: 221.98
Iso. SMILES: B1([C@@H]2C[C@@H]2C3=C(O1)C(=C(C=C3)F)C(=O)O)O
InChI Key: KOHUFVUIYUCFNG-PHDIDXHHSA-N
Can. SMILES: C1=C2[C@H]3C[C@H]3B(O)OC2=C(C(=C1)F)C(=O)O
InChI: InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1
External links:
Citations:
  • https://www.thelancet.com/journals/lanmic/article/PIIS2666-5247(24)00260-X/fulltext
  • https://www.shionogi.com/global/en/news/2024/05/E_20240531_1.html

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