ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200971
CHEMBL1200971
Compound Name CEPHALOGLYCIN
ChEMBL Synonyms CEFALOGLYCIN | CEPHALOGLYCIN | 39435 | KAFOCIN
Max Phase 4 (Approved)
Trade Names KAFOCIN
Molecular Formula C18H19N3O6S

Additional synonyms for CHEMBL1200971 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C ...
Download SMILES
Standard InChI InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17) ...
Download InChI
Standard InChI Key FUBBGQLTSCSAON-PBFPGSCMSA-N

Sources

  • Orange Book
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200971

Molecule Features

CHEMBL1200971 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:Discontinued

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov CEPHALOGLYCIN
The Cochrane Collaboration CEPHALOGLYCIN

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 CHEMBL1200971. 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 0.998

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.640
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.276

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
405.4 405.0995 -2.97 7 164.33 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.67 6.84 -.39 -3.67 1 28 0.32

Structural Alerts

There are 5 structural alerts for CHEMBL1200971. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FUBBGQLTSCSAON-PBFPGSCMSA-N
Wikipedia Cefaloglycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200971



ACToR 3577-01-3
Brenda 9428 196438
ChEBI 34613
DrugBank DB00689
DrugCentral 572
EPA CompTox Dashboard DTXSID4022781
FDA SRS HD2D469W6U
Human Metabolome Database HMDB0014827
IBM Patent System DBED0B7B723FDA194BB5612B5754CA26
KEGG Ligand C13440
Nikkaji J3.406A
PharmGKB PA164781027
PubChem 19150
PubChem: Thomson Pharma 14956524
SureChEMBL SCHEMBL2947
ZINC ZINC000003830503

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