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

General Information of Drug (ID: DR2678)
Drug Name
Carbapenem
Synonyms Carbapenem; Cis-carbapenem; (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one; 2,3-didehydro-1-carbapenam; 67836-EP2275424A1; 67836-EP2295402A2; 67836-EP2305219A1; 67836-EP2308874A1; CHEBI:46765; SCHEMBL37243
Indication Infectious cystitis [ICD11: GC00] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 109.13 Topological Polar Surface Area 20.3
Heavy Atom Count 8 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
13293131
ChEBI ID
CHEBI:46765
Formula
C6H7NO
Canonical SMILES
C1C=CN2C1CC2=O
InChI
1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1,3,5H,2,4H2/t5-/m1/s1
InChIKey
YZBQHRLRFGPBSL-RXMQYKEDSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Carbapenem M1 PDM007374 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-lactamase (blaB) DME1342 Acinetobacter baumannii
A0A1B1FBM9_ACIBA
3.5.2.6
[2]
Beta-lactamase (blaB) DME1222 Empedobacter brevis
Q8GQK7_9FLAO
3.5.2.6
[3]
References
1 National Center for Advancing Translational Science-Inxight: drug (GL970841YS)
2 Investigation of carbapenemases and aminoglycoside modifying enzymes of Acinetobacter baumannii isolates recovered from patients admitted to intensive care units in a tertiary-care hospital in Brazil. Rev Soc Bras Med Trop. 2019 Dec 20;53:e20190044.
3 EBR-1, a novel Ambler subclass B1 beta-lactamase from Empedobacter brevis. Antimicrob Agents Chemother. 2002 Oct;46(10):3223-7.

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