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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1208572
CHEMBL1208572
Compound Name SALINOMYCIN
ChEMBL Synonyms SALINOMYCIN | E716 | Salinomycin Sodium
Max Phase 0
Trade Names
Molecular Formula C42H70O11

Additional synonyms for CHEMBL1208572 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C ...
Download SMILES
Standard InChI InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31) ...
Download InChI
Standard InChI Key KQXDHUJYNAXLNZ-XQSDOZFQSA-N

Sources

  • DrugMatrix
  • Harvard Malaria Screening
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1208572

Molecule Features

CHEMBL1208572 compound icon
Drug Type:Synthetic Small Molecule 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 SALINOMYCIN
The Cochrane Collaboration SALINOMYCIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
751 750.4918 5.9 12 161.21 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 4 3 11 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.36 - 5.6 2.64 0 53 0.18

Structural Alerts

There are 5 structural alerts for CHEMBL1208572. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KQXDHUJYNAXLNZ-XQSDOZFQSA-N
Wikipedia Salinomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1208572



ACToR 53003-10-4
Brenda 163534
ChEBI 80025
eMolecules 31216638 36516828
EPA CompTox Dashboard DTXSID4048486
FDA SRS 62UXS86T64
IBM Patent System 27E4B1E5085813E4D84ED9A8F676A269
KEGG Ligand C15690
MolPort MolPort-006-129-956
Nikkaji J3.516E
PubChem 3085092
PubChem: Thomson Pharma 14913533
Selleck Salinomycin(Procoxacin)
SureChEMBL SCHEMBL36890
ZINC ZINC000085540254

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