Details of the Drug

General Information of Drug (ID: DMXZU73)

• 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

Disease Entry	ICD 11	Status	REF
Cystitis	GC00	Phase 4	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 109.13
  Topological Polar Surface Area (xlogp); 0
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C6H7NO
  IUPAC Name: (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one
  Canonical SMILES: C1C=CN2C1CC2=O
  InChI: YZBQHRLRFGPBSL-RXMQYKEDSA-N
  InChIKey: 1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1,3,5H,2,4H2/t5-/m1/s1
• Cross-matching ID:
  PubChem CID: 13293131
  ChEBI ID: CHEBI:46765
  INTEDE ID: DR2678

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Beta-lactamase (blaB)	DEBKS91	A0A1B1FBM9_ACIBA	Substrate	[2]
Beta-lactamase (blaB)	DESIWFO	Q8GQK7_9FLAO	Substrate	[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.
• [4] A high mortality rate associated with multidrug-resistant Acinetobacter baumannii ST79 and ST25 carrying OXA-23 in a Brazilian intensive care unit. PLoS One. 2018 Dec 28;13(12):e0209367.
• [5] Drug-resistant genes carried by Acinetobacter baumanii isolated from patients with lower respiratory tract infection. Chin Med J (Engl). 2010 Sep;123(18):2571-5.