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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL556262
CHEMBL556262
Compound Name FAROPENEM
ChEMBL Synonyms FAROPENEM
Max Phase 3
Trade Names
Molecular Formula C12H15NO5S

Additional synonyms for CHEMBL556262 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C(=O)O)[C@H]3CCCO3
Standard InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7) ...
Download InChI
Standard InChI Key HGGAKXAHAYOLDJ-FHZUQPTBSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL556262

Molecule Features

CHEMBL556262 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PneumoniaD011014EFO:0003106pneumonia3ClinicalTrials
TuberculosisD014376Orphanet:3389Tuberculosis2ClinicalTrials
Tuberculosis, PulmonaryD014397EFO:1000049pulmonary tuberculosis2ClinicalTrials

Clinical Data

ClinicalTrials.gov FAROPENEM
The Cochrane Collaboration FAROPENEM

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 CHEMBL556262. 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 0.993
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.447
CHEMBL237 Kappa opioid receptor Homo sapiens 0.367

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.999
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.998
CHEMBL237 Kappa opioid receptor Homo sapiens 0.637
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.363

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
285.3 285.0671 0.37 3 87.07 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4 - -1.09 -4.3 0 19 0.73

Structural Alerts

There are 3 structural alerts for CHEMBL556262. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01D - OTHER BETA-LACTAM ANTIBACTERIALS
J01DI - Other cephalosporins and penems
J01DI03 - faropenem

ChemSpider ChemSpider:HGGAKXAHAYOLDJ-FHZUQPTBSA-N
PubChem SID: 144205728 SID: 170466271
Wikipedia Faropenem

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL556262



ACToR 106560-14-9
Brenda 14720
ChEBI 51257
DrugBank DB12190
DrugCentral 1131
eMolecules 10228142
EPA CompTox Dashboard DTXSID0046430
FDA SRS F52Y83BGH3
Human Metabolome Database HMDB0041892
IBM Patent System AABBE9DB31F416A1913DD7D143A724A8
Nikkaji J550.682D
PDBe FPM
PubChem 65894
PubChem: Thomson Pharma 14751073 14873173
SureChEMBL SCHEMBL239381
ZINC ZINC000003959242

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