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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1631107
CHEMBL1631107
Compound Name CEFQUINOME
ChEMBL Synonyms CEFQUINOME | CEFQUINOME SULFATE | HR111V-SULFATE
Max Phase 0
Trade Names
Molecular Formula C23H24N6O5S2

Additional synonyms for CHEMBL1631107 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]3cccc ...
Download SMILES
Standard InChI InChI=1S/C23H24N6O5S2/c1-34-27-16(14-11-36-23(24)25-14)19(30 ...
Download InChI
Standard InChI Key YWKJNRNSJKEFMK-PQFQYKRASA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1631107

Molecule Features

CHEMBL1631107 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CEFQUINOME
The Cochrane Collaboration CEFQUINOME

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 CHEMBL1631107. 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

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.723
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.636

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
528.6 528.125 -0.65 7 153.92 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 2 1 11 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.43 1.7 -1.55 -1 2 36 0.21

Structural Alerts

There are 16 structural alerts for CHEMBL1631107. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YWKJNRNSJKEFMK-PQFQYKRASA-N
PubChem SID: 50126303

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1631107



ACToR 84957-30-2
FDA SRS Z74S078CWP
PubChem 5464355
SureChEMBL SCHEMBL149896

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