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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2375142
CHEMBL2375142
Compound Name CEFSUMIDE
ChEMBL Synonyms CEFSUMIDE
Max Phase 0
Trade Names
Molecular Formula C17H20N4O6S2

Additional synonyms for CHEMBL2375142 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3cccc(NS(=O)(=O)C)c3) ...
Download SMILES
Standard InChI InChI=1S/C17H20N4O6S2/c1-8-7-28-16-12(15(23)21(16)13(8)17(24 ...
Download InChI
Standard InChI Key OFKRKCHCYWQZLY-XHBSWPGZSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2375142

Molecule Features

CHEMBL2375142 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:Unclassified

Clinical Data

ClinicalTrials.gov CEFSUMIDE
The Cochrane Collaboration CEFSUMIDE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2375142. 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 0.778

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
440.5 440.0824 -3.34 6 192.58 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.12 6.65 -.19 -3.69 1 29 0.33

Structural Alerts

There are 4 structural alerts for CHEMBL2375142. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OFKRKCHCYWQZLY-XHBSWPGZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2375142



ACToR 54818-11-0
FDA SRS 3642W81J7A
Nikkaji J12.443E
PubChem 68718
PubChem: Drugs of the Future 24714899
SureChEMBL SCHEMBL612272
ZINC ZINC000001846327

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