Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DM4S3O8)

• Drug Name: Ertapenem Drug Info
• Synonyms: Ertapenem [INN]; Ertapenem (INN); Invanz (TN); (1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid; (4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Approved	[1]
Endometritis		Approved	[2]
Peptostreptococcus infectious disease		Approved	[2]
Streptococcal pneumonia		Approved	[2]

• Therapeutic Class: Antibiotics
• Cross-matching ID:
  PubChem CID: 150610
  ChEBI ID: CHEBI:404903
  CAS Number: CAS 153832-46-3
  TTD Drug ID: DM4S3O8
  INTEDE Drug ID: DR2457

Molecule-Related Drug Atlas

Drug(s) Targeting Bacterial Penicillin binding protein (Bact PBP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ampicillin	DMHWE7P	Acute epiglottitis		Approved	[6]
Cefazolin	DMPDYFR	Bacteremia	1A73	Approved	[7]
Ceftriaxone	DMCEW64	Acute gonococcal cervicitis		Approved	[8]
Ticarcillin	DM4ME02	Aspiration pneumonia		Approved	[9]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[10]
Meropenem	DM62UHC	Bacterial infection	1A00-1C4Z	Approved	[8]
Cefadroxil	DMMC345	Bacterial infection	1A00-1C4Z	Approved	[11]
Clofarabine	DMCVJ86	Acute lymphoblastic leukaemia	2A85	Approved	[12]
Cephalexin	DMD5JU8	Acute otitis media	AB00	Approved	[13]
Carbenicillin	DMLEDNK	Infection of the upper and lower urinary tract	GC08	Approved	[14]

Drug(s) Metabolized By Beta-lactamase (blaB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Imipenem	DMI9FBP	Bacteremia	1A73	Approved	[4]
Meropenem	DM62UHC	Bacterial infection	1A00-1C4Z	Approved	[4]
Doripenem	DM9UCJK	Cholecystitis		Approved	[4]
Cefotaxime	DMEB837	Bacteremia	1A73	Approved	[15]
Cefoxitin	DMY8NC4	Acute gonococcal cervicitis		Approved	[15]
Cefpirome	DMJKWPZ	N. A.	N. A.	Phase 4	[15]
Imipenem	DMI9FBP	Bacteremia	1A73	Approved	[16]
Meropenem	DM62UHC	Bacterial infection	1A00-1C4Z	Approved	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Penicillin binding protein (Bact PBP)	TTJP4SM	NOUNIPROTAC	Binder	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Beta-lactamase (blaB)	DEC3G7M	A0A1S7IV31_ENTAS	Substrate	[4]
Beta-lactamase (blaB)	DEMIUB2	BLAT_ECOLX	Substrate	[5]
Beta-lactamase (blaB)	DECWSA9	AMPC_MORMO	Substrate	[5]

References

• [1] Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
• [2] Ertapenem FDA Label
• [3] Role of penicillin-binding protein 2 (PBP2) in the antibiotic susceptibility and cell wall cross-linking of Staphylococcus aureus: evidence for the cooperative functioning of PBP2, PBP4, and PBP2A. JBacteriol. 2005 Mar;187(5):1815-24.
• [4] FRI-4 carbapenemase-producing Enterobacter cloacae complex isolated in Tokyo, Japan. J Antimicrob Chemother. 2018 Nov 1;73(11):2969-2972.
• [5] War wound treatment complications due to transfer of an IncN plasmid harboring bla(OXA-181) from Morganella morganii to CTX-M-27-producing sequence type 131 Escherichia coli. Antimicrob Agents Chemother. 2015;59(6):3556-62.
• [6] Effects of amino acid alterations in penicillin-binding proteins (PBPs) 1a, 2b, and 2x on PBP affinities of penicillin, ampicillin, amoxicillin, cefditoren, cefuroxime, cefprozil, and cefaclor in 18 clinical isolates of penicillin-susceptible, -intermediate, and -resistant pneumococci. Antimicrob Agents Chemother. 2002 May;46(5):1273-80.
• [7] Bacteriological characteristics of Staphylococcus aureus isolates from humans and bulk milk. J Dairy Sci. 2008 Feb;91(2):564-9.
• [8] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [9] Activities of antibiotics against methicillin-resistant Staphylococcus aureus with particular reference to synergetic effect between ticarcillin and fosfomycin on penicillinase non-producing methicillin-resistant S. aureus. Jpn J Antibiot. 1993 Jun;46(6):421-7.
• [10] Emerging drugs for bacterial urinary tract infections. Expert Opin Emerg Drugs. 2005 May;10(2):275-98.
• [11] Penicillin-binding protein sensitive to cephalexin in sporulation of Bacillus cereus. Microbiol Res. 1997 Sep;152(3):227-32.
• [12] Clofarabine: past, present, and future. Leuk Lymphoma. 2007 Oct;48(10):1922-30.
• [13] Relationship between penicillin-binding protein patterns and beta-lactamases in clinical isolates of Bacteroides fragilis with different susceptibility to beta-lactam antibiotics. J Med Microbiol. 2004 Mar;53(Pt 3):213-21.
• [14] Resistance of Pseudomonas aeruginosa to cefsulodin: modification of penicillin-binding protein 3 and mapping of its chromosomal gene. J Antimicrob Chemother. 1990 Apr;25(4):513-23.
• [15] Oral streptococcal strains isolated from odontogenic infections and their susceptibility to antibiotics. Rev Med Chir Soc Med Nat Iasi. 2006 Oct-Dec;110(4):1012-5.
• [16] Molecular investigation of extended-spectrum beta-lactamase genes and potential drug resistance in clinical isolates of Morganella morganii. Ann Saudi Med. 2016 May-Jun;36(3):223-8.