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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201204
CHEMBL1201204
Compound Name CEFPIRAMIDE
ChEMBL Synonyms WY-44,635 | Sepatren | CEFPIRAMIDE SODIUM | WY-44635 | WY-44,635 SODIUM | CEFPIRAMIDE
Max Phase 4 (Approved)
Trade Names CEFPIRAMIDE SODIUM | Sepatren
Molecular Formula C25H24N8O7S2

Additional synonyms for CHEMBL1201204 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(O)c(cn1)C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C ...
Download SMILES
Standard InChI InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(1 ...
Download InChI
Standard InChI Key PWAUCHMQEXVFJR-PMAPCBKXSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1201204

Molecule Features

CHEMBL1201204 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov CEFPIRAMIDE
The Cochrane Collaboration CEFPIRAMIDE

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 CHEMBL1201204. 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
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.961
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.710

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.404

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
612.7 612.1209 0.33 9 212.76 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 5 2 15 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.62 8.73 .17 -3.35 3 42 0.16

Structural Alerts

There are 5 structural alerts for CHEMBL1201204. 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
J01DD - Third-generation cephalosporins
J01DD11 - cefpiramide

ChemSpider ChemSpider:PWAUCHMQEXVFJR-PMAPCBKXSA-N
PubChem SID: 144206001 SID: 50112698
Wikipedia Cefpiramide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201204



ACToR 70797-11-4
ChEBI 59213
ChemicalBook CB5265046
DrugBank DB00430
DrugCentral 552
eMolecules 26951180
EPA CompTox Dashboard DTXSID6046630
FDA SRS P936YA152N
Human Metabolome Database HMDB0014574
IBM Patent System 256E9D4543A164A1E6E034EEEBCC57D6 79D5496A2C68047C91366158DB629393
MolPort MolPort-023-220-334
Nikkaji J32.869C
PubChem 636405
PubChem: Thomson Pharma 15013299
SureChEMBL SCHEMBL49253
ZINC ZINC000004215257

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