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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1360024
CHEMBL1360024
Compound Name CEFAMANDOLE SODIUM
ChEMBL Synonyms CEFAMANDOLE SODIUM
Max Phase 0
Trade Names
Molecular Formula C18H17N6NaO5S2

Additional synonyms for CHEMBL1360024 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc ...
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Standard InChI InChI=1S/C18H18N6O5S2.Na/c1-23-18(20-21-22-23)31-8-10-7-30-1 ...
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Standard InChI Key OJMNTWPPFNMOCJ-CFOLLTDRSA-M

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1360024

Molecule Features

CHEMBL1360024 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unknown

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 CHEMBL1360024. 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 0.988
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.460
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.363

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4143 Calpain 2 Sus scrofa 0.584
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.464
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.379
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.352

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
462.5 462.078 -0.23 7 150.54 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 3 0 11 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.62 .67 -.04 -3.75 2 31 0.37

Structural Alerts

There are 3 structural alerts for CHEMBL1360024. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OJMNTWPPFNMOCJ-CFOLLTDRSA-M
PubChem SID: 144204328 SID: 855600

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1360024



ACToR 30034-03-8
ChEBI 34614
eMolecules 6720040 36728515
EPA CompTox Dashboard DTXSID2045579
FDA SRS IY6234ODVR
KEGG Ligand C13968
MolPort MolPort-005-940-900
Nikkaji J26.445H
PubChem 101834453 23672568
PubChem: Thomson Pharma 14785805

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