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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL501617
CHEMBL501617
Compound Name IONOMYCIN
ChEMBL Synonyms Ionomycin
Max Phase 0
Trade Names
Molecular Formula C41H72O9

Additional synonyms for CHEMBL501617 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)\C=C(/O)\[C@H](C)C[C@ ...
Download SMILES
Standard InChI InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3) ...
Download InChI
Standard InChI Key PGHMRUGBZOYCAA-ADZNBVRBSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL501617

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
709 708.5176 6.94 22 153.75 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 2 9 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.77 - 5.91 3.29 0 50 0.05

Structural Alerts

There are 6 structural alerts for CHEMBL501617. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PGHMRUGBZOYCAA-ADZNBVRBSA-N
PubChem SID: 26755802 SID: 26755805
Wikipedia Ionomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL501617



ACToR 56092-81-0
Atlas ionomycin ionomycin;none
ChEBI 63954
eMolecules 27515014
EPA CompTox Dashboard DTXSID2040521
Metabolights MTBLC63954
MolPort MolPort-023-276-325
Nikkaji J81.906I
PubChem 6912226
PubChem: Thomson Pharma 16897810 14815273
SureChEMBL SCHEMBL17265597
ZINC ZINC000169289396

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