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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1605
CHEMBL1605
Compound Name CEFTIBUTEN
ChEMBL Synonyms CEDAX | 7432-S | CEFTIBUTEN | SCH 39720 | CEFTIBUTEN DIHYDRATE | Seftem
Max Phase 4 (Approved)
Trade Names Seftem | CEDAX
Molecular Formula C15H14N4O6S2

Additional synonyms for CHEMBL1605 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(cs1)\C(=C\CC(=O)O)\C(=O)N[C@H]2[C@H]3SCC=C(N3C2=O)C(=O ...
Download SMILES
Standard InChI InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(2 ...
Download InChI
Standard InChI Key UNJFKXSSGBWRBZ-BJCIPQKHSA-N

Sources

  • British National Formulary
  • 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


CHEMBL1605

Molecule Features

CHEMBL1605 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N 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 PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
PyelonephritisD011704EFO:1001141pyelonephritis3ClinicalTrials

Clinical Data

ClinicalTrials.gov CEFTIBUTEN
The Cochrane Collaboration CEFTIBUTEN

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 CHEMBL1605. 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 0.269

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
410.4 410.0355 -0.05 6 162.92 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.99 3.75 -3.19 -7.94 1 27 0.37

Structural Alerts

There are 10 structural alerts for CHEMBL1605. 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
J01DD14 - ceftibuten

ChemSpider ChemSpider:UNJFKXSSGBWRBZ-BJCIPQKHSA-N
DailyMed ceftibuten dihydrate
PubChem SID: 144204999
Wikipedia Ceftibuten

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1605



ACToR 97519-39-6
BindingDB 50370586
ChEBI 3510
ChemicalBook CB7299436
DrugBank DB01415
DrugCentral 562
EPA CompTox Dashboard DTXSID4045925
FDA SRS IW71N46B4Y
Human Metabolome Database HMDB0015485
KEGG Ligand C08117
MolPort MolPort-003-666-607
Nikkaji J227.557K
PharmGKB PA164744555
PubChem 5282242
PubChem: Drugs of the Future 12013999
PubChem: Thomson Pharma 14855303 14806339
SureChEMBL SCHEMBL37054
ZINC ZINC000003871967

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