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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201005
CHEMBL1201005
Compound Name CEFONICID SODIUM
ChEMBL Synonyms MONOCID | CEFONICID SODIUM | SK&F D-75073-Z2
Max Phase 4 (Approved)
Trade Names MONOCID
Molecular Formula C18H16N6Na2O8S3

Additional synonyms for CHEMBL1201005 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].O[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O- ...
Download SMILES
Standard InChI InChI=1S/C18H18N6O8S3.2Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-1 ...
Download InChI
Standard InChI Key NAXFZVGOZUWLEP-RFXDPDBWSA-L

Sources

  • Orange Book
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1201005

Molecule Features

CHEMBL1201005 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 CEFONICID SODIUM
The Cochrane Collaboration CEFONICID SODIUM

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1201005. 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 1.000
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.963
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.814
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.722
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.372

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4143 Calpain 2 Sus scrofa 0.697
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.649
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.629
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.563
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.320

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
542.6 542.0348 -0.92 9 204.91 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 4 2 14 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-1.23 .4 -2.29 -7.04 2 35 0.17

Structural Alerts

There are 7 structural alerts for CHEMBL1201005. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NAXFZVGOZUWLEP-RFXDPDBWSA-L
PubChem SID: 144206015

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201005



ACToR 61270-78-8
ChEBI 3492
ChemicalBook CB6743497
eMolecules 31587580 30100397
EPA CompTox Dashboard DTXSID0046642
FDA SRS F74MFL78A1
KEGG Ligand C08105
MolPort MolPort-020-003-975
Nikkaji J18.084J
PubChem 118705296 101316737 43593
PubChem: Drugs of the Future 12013357
PubChem: Thomson Pharma 14935871
SureChEMBL SCHEMBL41895

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NAXFZVGOZUWLEP-RFXDPDBWSA-L spacer
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