Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3540)
Drug Name
Ceftobiprole medocaril
Prodrug Info Ceftobiprole medocaril is the prodrug of BAL 9141
Synonyms
UNII-YXV28V1B07; YXV28V1B07; BAL5788; 376653-43-9; ceftobiprolemedocaril; Ceftobiprole Medocaril [INN]; SCHEMBL2671859; SCHEMBL19236293; CHEBI:135968; DB14733; 653C439; (6R,7R)-7-((2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetamido)-3-((E)((3'R)-1'-((5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl)-2-oxo-(1,3'-bipyrrolidin)-3-ylidene)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
Indication Skin and skin-structure infection [ICD11: 1F28-1G0Z] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 690.7 Topological Polar Surface Area 310
Heavy Atom Count 47 Rotatable Bond Count 9
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 17
Cross-matching ID
PubChem CID
135413544
ChEBI ID
CHEBI:135968
CAS Number
376653-43-9
TTD Drug ID
D4H2CP
Formula
C26H26N8O11S2
Canonical SMILES
CC1=C(OC(=O)O1)COC(=O)N2CC[C@H](C2)N3CC/C(=C\\C4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N\\O)/C6=NSC(=N6)N)SC4)C(=O)O)/C3=O
InChI
InChI=1S/C26H26N8O11S2/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31)/b11-6+,30-15-/t13-,16-,22-/m1/s1
InChIKey
HFTSMHTWUFCYMJ-YIOMYIDASA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
BAL 9141 DM016620
135413542
Unclear - Unclear 1 [2]
BAL 1029 DM019180 N. A. Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012052 Ceftobiprole medocaril BAL 9141 Unclear - Unclear ES [2]
MR012053 BAL 9141 BAL 1029 Unclear - Unclear Unclear [2]
References
1 ClinicalTrials.gov (NCT03137173) Ceftobiprole in the Treatment of Patients With Acute Bacterial Skin and Skin Structure Infections. U.S. National Institutes of Health.
2 Pharmacokinetics and pharmacodynamics of ceftobiprole, an anti-MRSA cephalosporin with broad-spectrum activity

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