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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL148
CHEMBL148
Compound Name IMIPENEM
ChEMBL Synonyms IMIPEMIDE | IMIPENEM | MK-0787 | Imipenem hydrate
Max Phase 4 (Approved)
Trade Names
Molecular Formula C12H17N3O4S

Additional synonyms for CHEMBL148 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N
Standard InChI InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18 ...
Download InChI
Standard InChI Key ZSKVGTPCRGIANV-ZXFLCMHBSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL148

Molecule Features

CHEMBL148 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial penicillin-binding protein inhibitor Bacterial penicillin-binding protein DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
InfectionD007239EFO:0000544infection2ClinicalTrials
PneumoniaD011014EFO:0003106pneumonia1ClinicalTrials
Pneumonia, BacterialD018410EFO:1001272bacterial pneumonia3ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
Pneumonia, Ventilator-AssociatedD053717EFO:1001865ventilator-associated pneumonia3ClinicalTrials
Communicable DiseasesD003141EFO:0005741infectious disease1ClinicalTrials

Clinical Data

ClinicalTrials.gov IMIPENEM
The Cochrane Collaboration IMIPENEM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL148. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2725 Beta-lactamase Enterobacter cloacae 1.000
CHEMBL2065 Beta-lactamase TEM Escherichia coli 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.240

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2725 Beta-lactamase Enterobacter cloacae 1.000
CHEMBL2065 Beta-lactamase TEM Escherichia coli 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
299.4 299.094 -0.18 7 113.72 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.29 10.62 -2.95 -5.45 0 20 0.22

Structural Alerts

There are 11 structural alerts for CHEMBL148. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZSKVGTPCRGIANV-ZXFLCMHBSA-N
DailyMed imipenem
PubChem SID: 144204240 SID: 170464934 SID: 90341794

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL148



ACToR 64221-86-9
BindingDB 50049708
Brenda 94301 94302
ChEBI 471744
ChemicalBook CB5695768
DrugBank DB01598
DrugCentral 1426
eMolecules 31526880 30512518 3715980
EPA CompTox Dashboard DTXSID2023143
FDA SRS Q20IM7HE75
Human Metabolome Database HMDB0015536
IBM Patent System 69A035F50D48DB2D0778B5697CB43854
KEGG Ligand C06665
LINCS LSM-6568
MolPort MolPort-006-069-114
Nikkaji J32.525B
PharmGKB PA449968
PubChem 104838
PubChem: Thomson Pharma 15023235
SureChEMBL SCHEMBL1649260
ZINC ZINC000004097225

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ZSKVGTPCRGIANV-ZXFLCMHBSA-N spacer
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