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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL339323
CHEMBL339323
Compound Name PANIPENEM
ChEMBL Synonyms PANIPENEM
Max Phase 0
Trade Names
Molecular Formula C15H21N3O4S

Additional synonyms for CHEMBL339323 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)S[C@H]3CCN(C3)C(= ...
Download SMILES
Standard InChI InChI=1S/C15H21N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14 ...
Download InChI
Standard InChI Key TYMABNNERDVXID-DLYFRVTGSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL339323

Molecule Features

CHEMBL339323 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PANIPENEM
The Cochrane Collaboration PANIPENEM

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 CHEMBL339323. 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
CHEMBL3769 Trypsin I Bos taurus 0.531

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
339.4 339.1253 0.7 4 104.93 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.3 12.62 -2.85 -5.35 0 23 0.4

Structural Alerts

There are 8 structural alerts for CHEMBL339323. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TYMABNNERDVXID-DLYFRVTGSA-N
Wikipedia Panipenem

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL339323



ACToR 87726-17-8
Brenda 41099
ChEBI 7911
DrugCentral 2053
FDA SRS W9769W09JF
IBM Patent System EBB33FAB3D9FB2B30FFDCB8E9DA431CE
MolPort MolPort-005-940-731
Nikkaji J431.985K
PubChem 72015
PubChem: Drugs of the Future 12013656
PubChem: Thomson Pharma 14777908 14777909
SureChEMBL SCHEMBL150517
ZINC ZINC000003780837

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