CEFEPIME

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Synonyms
Status
Molecule Category Free-form
ATC J01DE01
UNII 807PW4VQE3
EPA CompTox DTXSID70873208

Structure

InChI Key HVFLCNVBZFFHBT-ZKDACBOMSA-N
Smiles CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1
InChI
InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N6O5S2
Molecular Weight 480.57
AlogP -1.28
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 150.04
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 32.0
Assay Description Organism Bioactivity Reference
Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 1b Pseudomonas aeruginosa PAO1 2.0 ug.mL-1
Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 1a Pseudomonas aeruginosa PAO1 0.1 ug.mL-1
Inhibition of bocillin FL binding to Escherichia coli MC4100 penicillin-binding protein 6 Escherichia coli 4.0 ug.mL-1
Inhibition of bocillin FL binding to Escherichia coli MC4100 penicillin-binding protein 5 Escherichia coli 4.0 ug.mL-1
Inhibition of bocillin FL binding to Escherichia coli MC4100 penicillin-binding protein 4 Escherichia coli 4.0 ug.mL-1
Inhibition of bocillin FL binding to Escherichia coli MC4100 penicillin-binding protein 3 Escherichia coli 0.1 ug.mL-1
Inhibition of bocillin FL binding to Escherichia coli MC4100 penicillin-binding protein 2 Escherichia coli 0.6 ug.mL-1
Inhibition of bocillin FL binding to Escherichia coli MC4100 penicillin-binding protein 1b Escherichia coli 3.7 ug.mL-1
Inhibition of bocillin FL binding to Escherichia coli MC4100 penicillin-binding protein 1a Escherichia coli 2.0 ug.mL-1
Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 2 Pseudomonas aeruginosa PAO1 8.0 ug.mL-1
Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 3 Pseudomonas aeruginosa PAO1 0.1 ug.mL-1
Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 4 Pseudomonas aeruginosa PAO1 0.3 ug.mL-1
Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 5/6 Pseudomonas aeruginosa PAO1 32.0 ug.mL-1
Inhibition of PBP1 in penicillin-resistant Enterococcus faecium D63r membranes assessed as inhibition of fluorescent ampicillin binding after 20 mins at 37 degC Enterococcus faecium 1.7 ug.mL-1
Inhibition of PBP2 in penicillin-resistant Enterococcus faecium D63r membranes assessed as inhibition of fluorescent ampicillin binding after 20 mins at 37 degC Enterococcus faecium 0.6 ug.mL-1
Inhibition of PBP3 in penicillin-resistant Enterococcus faecium D63r membranes assessed as inhibition of fluorescent ampicillin binding after 20 mins at 37 degC Enterococcus faecium 0.5 ug.mL-1
Inhibition of PBP4 in penicillin-resistant Enterococcus faecium D63r membranes assessed as inhibition of fluorescent ampicillin binding after 20 mins at 37 degC Enterococcus faecium 200.0 ug.mL-1
Inhibition of PBP5 in penicillin-resistant Enterococcus faecium D63r membranes assessed as inhibition of fluorescent ampicillin binding after 20 mins at 37 degC Enterococcus faecium 200.0 ug.mL-1
Inhibition of low-affinity PBP5fm in penicillin-resistant Enterococcus faecium D63r membranes assessed as inhibition of fluorescent ampicillin binding after 20 mins at 37 degC Enterococcus faecium 200.0 ug.mL-1
Inhibition of PBP6 in penicillin-resistant Enterococcus faecium D63r membranes assessed as inhibition of fluorescent ampicillin binding after 20 mins at 37 degC Enterococcus faecium 50.0 ug.mL-1

Related Entries

Cross References

Resources Reference
ChEBI 478164
ChEMBL CHEMBL186
DrugBank DB01413
DrugCentral 535
FDA SRS 807PW4VQE3
Human Metabolome Database HMDB0015483
Guide to Pharmacology 10772
KEGG C08111
PharmGKB PA164754876
PubChem 5479537
SureChEMBL SCHEMBL65720
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