IMIPENEM

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Synonyms
Status
Molecule Category Mixture
UNII Q20IM7HE75
EPA CompTox DTXSID2023143

Structure

InChI Key GSOSVVULSKVSLQ-JJVRHELESA-N
Smiles C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12.O
InChI
InChI=1S/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7-,9-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H17N3O4S
Molecular Weight 299.35
AlogP -0.18
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 113.72
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 150 - 60 -
Ion channel Ligand-gated ion channel GABA-A receptor
- - - - 15
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Citrobacter freundii
- - - 60 -
Escherichia coli
- 10 - - -
Homo sapiens
- - - - 15
Pseudomonas aeruginosa
- 150-600 - - -
Streptococcus pneumoniae
- 500-500 - - -

Cross References

Resources Reference
ChEBI 471744
ChEMBL CHEMBL148
DrugBank DB01598
DrugCentral 1426
FDA SRS Q20IM7HE75
Human Metabolome Database HMDB0015536
Guide to Pharmacology 10821
KEGG C06665
PharmGKB PA449968
PubChem 5282372
SureChEMBL SCHEMBL1649260
ZINC ZINC000004097225
ChEBI 51799
ChEMBL CHEMBL43708
FDA SRS 71OTZ9ZE0A
Guide to Pharmacology 10821
PubChem 5282372
SureChEMBL SCHEMBL5980
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