ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL258893
CHEMBL258893
Compound Name CHELERYTHRINE CHLORIDE
ChEMBL Synonyms Chelerythrine Chloride | Chelerythrine
Max Phase 0
Trade Names
Molecular Formula C21H18ClNO4

Additional synonyms for CHEMBL258893 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC
Standard InChI InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3 ...
Download InChI
Standard InChI Key WEEFNMFMNMASJY-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL258893

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
348.4 348.123 3.72 2 40.8 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.4 -.4 4 26 0.41

Structural Alerts

There are 6 structural alerts for CHEMBL258893. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WEEFNMFMNMASJY-UHFFFAOYSA-M
PubChem SID: 50105982 SID: 544923
Wikipedia Chelerythrine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL258893



ACToR 3895-92-9
Brenda 20182
eMolecules 715639
EPA CompTox Dashboard DTXSID70893481
FDA SRS 7IC98TZ0PZ
MolPort MolPort-003-983-741
PubChem 72311
PubChem: Thomson Pharma 15149969
SureChEMBL SCHEMBL195109

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