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

General Information of Drug (ID: DR3520)
Drug Name
Ceftobiprole
Synonyms
BAL 9141; BAL 9141-000; BAL-9141; Ro 63-9141; Ro-63-9141; Ro-63-9141/000; (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Indication Pneumocystis pneumonia [ICD11: CA40] Phase 3 [1]
Skin and skin-structure infection [ICD11: ICD11: 1F28-1G0Z] Phase 3 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 534.6 Topological Polar Surface Area 257
Heavy Atom Count 36 Rotatable Bond Count 6
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 13
Cross-matching ID
PubChem CID
135413542
ChEBI ID
CHEBI:140407
CAS Number
209467-52-7
TTD Drug ID
D0CI9T
Formula
C20H22N8O6S2
Canonical SMILES
C1CNC[C@@H]1N2CC/C(=C\\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\\O)/C5=NSC(=N5)N)SC3)C(=O)O)/C2=O
InChI
InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,34H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/b8-5+,25-11-/t10-,12-,18-/m1/s1
InChIKey
VOAZJEPQLGBXGO-SDAWRPRTSA-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 1029 DM019180 N. A. Other reaction - Beta-lactam ring opens 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011654 Ceftobiprole BAL 1029 Other reaction - Beta-lactam ring opens Unclear [3]
References
1 ClinicalTrials.gov (NCT03439124) Ceftobiprole in the Treatment of Pediatric Patients With Pneumonia. U.S. National Institutes of Health.
2 ClinicalTrials.gov (NCT03137173) Ceftobiprole in the Treatment of Patients With Acute Bacterial Skin and Skin Structure Infections. U.S. National Institutes of Health.
3 Pharmacokinetics and pharmacodynamics of ceftobiprole, an anti-MRSA cephalosporin with broad-spectrum activity

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