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Repositioning Candidate Details

Candidate ID: R0080
Source ID: DB00303
Source Type: approved; investigational
Compound Type: small molecule
Compound Name: Ertapenem
Synonyms:
Molecular Formula: C22H25N3O7S
SMILES: [H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@@]([H])(C3)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
Structure:
DrugBank Description: Ertapenem is a carbapenem antibiotic drug that is marketed under the trade name Invanz by Merck & Co. pharmaceutical company. It is structurally similar to [meropenem] and possess a 1-beta-methyl group.
CAS Number: 153832-46-3
Molecular Weight: 475.515
DrugBank Indication: For the treatment the following moderate to severe infections caused by susceptible isolates of the designated microorganisms: (1) complicated intra-abdominal infections due to <i>Escherichia coli</i>, <i>Clostridium clostridioforme</i>, <i>Eubacterium lentum</i>, <i>Peptostreptococcus</i> species, <i>Bacteroides fragilis</i>, <i>Bacteroides distasonis</i>, <i>Bacteroides ovatus</i>, <i>Bacteroides thetaiotaomicron</i>, or <i>Bacteroides uniformis</i>, (2) complicated skin and skin structure infections, including diabetic foot infections without osteomyelitis due to <i>Staphylococcus aureus</i> (methicillin susceptible isolates only), <i>Streptococcus agalactiae</i>, <i>Streptococcus pyogenes</i>, <i>Escherichia coli</i>, <i>Klebsiella pneumoniae</i>, <i>Proteus mirabilis</i>, <i>Bacteroides fragilis</i>, <i>Peptostreptococcus</i> species, <i>Porphyromonas asaccharolytica</i>, or <i>Prevotella bivia</i>, (3) community acquired pneumonia due to <i>Streptococcus pneumoniae</i> (penicillin susceptible isolates only) including cases with concurrent bacteremia, <i>Haemophilus influenzae</i> (beta-lactamase negative isolates only), or <i>Moraxella catarrhalis</i>, (4) complicated urinary tract infections including pyelonephritis due to <i>Escherichia coli</i>, including cases with concurrent bacteremia, or <i>Klebsiella pneumoniae</i>, (5) acute pelvic infections including postpartum endomyometritis, septic abortion and post surgical gynecologic infections due to <i>Streptococcus agalactiae</i>, <i>Escherichia coli</i>, <i>Bacteroides fragilis</i>, <i>Porphyromonas asaccharolytica</i>, <i>Peptostreptococcus</i> species, or <i>Prevotella bivia</i>.
DrugBank Pharmacology: Ertapenem has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria.
DrugBank MoA: The bactericidal activity of ertapenem results from the inhibition of cell wall synthesis and is mediated through ertapenem binding to penicillin binding proteins (PBPs). In <i>Escherichia coli</i>, it has strong affinity toward PBPs 1a, 1b, 2, 3, 4 and 5 with preference for PBPs 2 and 3. Ertapenem is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases. Ertapenem is hydrolyzed by metallo-beta-lactamases.
Targets: Penicillin-binding protein 1A; Penicillin-binding protein 1B; Penicillin-binding protein 2; Penicillin-binding protein 2; Peptidoglycan synthase FtsI; Peptidoglycan synthase FtsI; D-alanyl-D-alanine carboxypeptidase DacB; D-alanyl-D-alanine carboxypeptidase DacC
Inclusion Criteria:

Strategy ID Strategy Synonyms Related Targets Related Drugs

Target ID Target Name GENE Action Class UniProtKB ID Entry Name
T03 Angiotensin-converting enzyme ACE INHIBITOR Target is a single protein chain P12821 ACE_HUMAN Details

Diseases ID DO ID Disease Name Definition Class
I02 1184 nephrotic syndrome "A nephrosis characterized by marked increase in glomerular protein permeability resulting in marked elevation of urine protein levels, hypoalbuminemia, hyperlipidemia, and hypercoagulability." [url:https\://en.wikipedia.org/wiki/Nephrotic_syndrome, url:https\://www.niddk.nih.gov/health-information/kidney-disease/nephrotic-syndrome-adults] Details