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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1010
CHEMBL1010
Compound Name CEFOTAXIME SODIUM
ChEMBL Synonyms RU 24756 | HR 756 | Pretor | CEFOTAXIME SODIUM | CEFOTAXIME | Cefcil | CLAFORAN
Max Phase 4 (Approved)
Trade Names CEFOTAXIME | CEFOTAXIME SODIUM | CLAFORAN | Cefcil | Pretor
Molecular Formula C16H16N5NaO7S2

Additional synonyms for CHEMBL1010 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])COC( ...
Download SMILES
Standard InChI InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21( ...
Download InChI
Standard InChI Key AZZMGZXNTDTSME-JUZDKLSSSA-M

Sources

  • British National Formulary
  • Curated Drug Pharmacokinetic Data
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1010

Molecule Features

CHEMBL1010 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: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
ClinicalTrials

Clinical Data

ClinicalTrials.gov CEFOTAXIME SODIUM
The Cochrane Collaboration CEFOTAXIME SODIUM

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 CHEMBL1010. 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
CHEMBL2065 Beta-lactamase TEM Escherichia coli 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.641
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.486

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2725 Beta-lactamase Enterobacter cloacae 1.000
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 1.000
CHEMBL2065 Beta-lactamase TEM Escherichia coli 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.869
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.404
CHEMBL3499 Beta-lactamase class C Enterobacter cloacae 0.310

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
455.5 455.0569 -0.62 7 173.51 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 3 1 12 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.66 1.7 -.51 -4.26 1 30 0.21

Structural Alerts

There are 15 structural alerts for CHEMBL1010. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AZZMGZXNTDTSME-JUZDKLSSSA-M
DailyMed cefotaxime sodium
PubChem SID: 50106035 SID: 56422770 SID: 85149186 SID: 85273722

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1010



ChEBI 3498
ChemicalBook CB2197478
eMolecules 489452
FDA SRS 258J72S7TZ
KEGG Ligand C08113
MolPort MolPort-003-928-040
Nikkaji J19.801C
PubChem 10695961
PubChem: Drugs of the Future 12012575
PubChem: Thomson Pharma 16016799 15729958
SureChEMBL SCHEMBL41092

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/AZZMGZXNTDTSME-JUZDKLSSSA-M spacer
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