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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL927
CHEMBL927
Compound Name CEFDINIR
ChEMBL Synonyms FK 482 | CI-983 | OMNICEF | CEFDINIR | Cefzon
Max Phase 4 (Approved)
Trade Names CEFDINIR | Cefzon | OMNICEF
Molecular Formula C14H13N5O5S2

Additional synonyms for CHEMBL927 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(cs1)\C(=N\O)\C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C= ...
Download SMILES
Standard InChI InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22 ...
Download InChI
Standard InChI Key RTXOFQZKPXMALH-GHXIOONMSA-N

Sources

  • 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


CHEMBL927

Molecule Features

CHEMBL927 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 DailyMed PubMed PubMed

Clinical Data

ClinicalTrials.gov CEFDINIR
The Cochrane Collaboration CEFDINIR

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 CHEMBL927. 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
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.929
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.506
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.219

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2725 Beta-lactamase Enterobacter cloacae 1.000
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.444

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
395.4 395.0358 -0.17 5 158.21 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.82 2.03 -1.78 -5.48 1 26 0.23

Structural Alerts

There are 16 structural alerts for CHEMBL927. 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
J01DD15 - cefdinir

ChemSpider ChemSpider:RTXOFQZKPXMALH-GHXIOONMSA-N
DailyMed cefdinir
PubChem SID: 56422579
Wikipedia Cefdinir

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL927



Brenda 37963
ChEBI 3485
ChemicalBook CB7483101
DrugBank DB00535
DrugCentral 533
EPA CompTox Dashboard DTXSID8046084
FDA SRS CI0FAO63WC
Human Metabolome Database HMDB0014675
IBM Patent System EEFE81F728533A0150D652ACE9CE283D
KEGG Ligand C08110
MolPort MolPort-002-885-812
Nikkaji J227.563E
PharmGKB PA164768739
PubChem 6915944
PubChem: Drugs of the Future 12013492
PubChem: Thomson Pharma 14805465 14927923
Selleck Cefdinir(Omnicef)
SureChEMBL SCHEMBL36995
ZINC ZINC000003927198

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