TOP TCM candidates

Score	ID	English Name	Chinese Name

Basic Database Information

Drug Generic Name:Ertapenem

Database ID : 296

Drugbank ID : DB00303

WikiPedia Link: http://en.wikipedia.org/wiki/Ertapenem

Basic Chemical Information

Drug Generic Name:Ertapenem

Chemical Formula:C22H25N3O7S

Molecular Weight:475.515

Synonyms: MK-0826

Description: Ertapenem is a carbapenem antibiotic marketed by Merck as Invanz®. It is structurally very similar to meropenem in that it possess a 1-beta-methyl group. [Wikipedia]

Toxicity: Not Available

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>."

Absorption: The mean bioavailability is approximately 90%.

Biotransformation: "The major metabolite is the inactive ring-opened derivative formed by hydrolysis of the &beta;-lactam ring. Ertapenem did not inhibit metabolism mediated by cytochrome P450 (CYP) isoforms 1A2, 2C9, 2C19, 2D6, 2E1, or 3A4 when evaluated by in vitro studies in human liver microsomes."

Experimental LogP Hydrophobicity: 0.3

Experimental Water Solubility: Soluble as sodium salt

Half life: The mean plasma half-life is approximately 4 hours.

Brand Mixtures: Not Available

pKa Isoelectric Point: Not Available

Pharmacology: Ertapenem has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria.

Related Database Information

AHFS Codes:08:12.07.08

ATC Codes:J01DH03

CAS registry Number:153832-46-3

ChEBI ID:15449

DPD Drug ID Number:2247437

GenBank ID:Not Available

HET ID: Not Available

SwissProt ID: Not Available

SwissProt Name: Not Available

PDB experimental ID: Not Available

PDB Homology ID: Not Available

PharmGKB ID: PA10073

Corresponding Targets

ID	Name	General Function
115	Penicillin-binding protein 2	Cell wall/membrane/envelope biogenesis
1	Peptidoglycan synthetase ftsI	Cell wall/membrane/envelope biogenesis
4155	Peptidoglycan synthetase ftsI	Involved in penicillin binding
543	Penicillin-binding protein 1B	Cell wall/membrane/envelope biogenesis
6069	Penicillin-binding protein 2	Cell wall/membrane/envelope biogenesis
6184	D-alanyl-D-alanine carboxypeptidase dacC	Cell wall/membrane/envelope biogenesis
645	Penicillin-binding protein 1A	Cell wall/membrane/envelope biogenesis
819	Penicillin-binding protein 4	Cell wall/membrane/envelope biogenesis