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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL507674
CHEMBL507674
Compound Name CEFOPERAZONE
ChEMBL Synonyms CEFOPERAZONE | Cefoperazone Dihydrate | CP-52,640-2 | Cefobis | CEFOBID | T-1551 | CEFOPERAZONE SODIUM | CP-52640-2
Max Phase 4 (Approved)
Trade Names CEFOBID | Cefobis
Molecular Formula C25H27N9O8S2

Additional synonyms for CHEMBL507674 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O) ...
Download SMILES
Standard InChI InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27 ...
Download InChI
Standard InChI Key GCFBRXLSHGKWDP-XCGNWRKASA-N

Sources

  • AstraZeneca Deposited Data
  • Orange Book
  • 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


CHEMBL507674

Molecule Features

CHEMBL507674 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov CEFOPERAZONE
The Cochrane Collaboration CEFOPERAZONE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
645.7 645.1424 -1.11 9 220.26 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 4 2 17 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.62 .67 -1.11 -4.82 2 44 0.14

Structural Alerts

There are 7 structural alerts for CHEMBL507674. 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
J01DD12 - cefoperazone

ChemSpider ChemSpider:GCFBRXLSHGKWDP-XCGNWRKASA-N
Wikipedia Cefoperazone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL507674



ACToR 62893-19-0
BindingDB 50390999
Brenda 9526
ChEBI 3493
ChemicalBook CB4752040
DrugCentral 543
eMolecules 3715751
EPA CompTox Dashboard DTXSID2022759
FDA SRS 7U75I1278D
IBM Patent System 94805145B3B474C733606FF6013722F6
KEGG Ligand C06883
LINCS LSM-15520
MolPort MolPort-006-069-122
Nikkaji J19.295C
PubChem 44187
PubChem: Thomson Pharma 15013730
Selleck cefoperazone-cefobid
SureChEMBL SCHEMBL37056
ZINC ZINC000003830432

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