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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL490129
CHEMBL490129
Compound Name SANGUINARIUM CHLORIDE
ChEMBL Synonyms SANGUINARIUM CHLORIDE | SANGUINARINE CHLORIDE
Max Phase 0
Trade Names
Molecular Formula C20H14ClNO4

Additional synonyms for CHEMBL490129 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14
Standard InChI InChI=1S/C20H14NO4.ClH/c1-21-8-15-12(4-5-16-20(15)25-10-22-1 ...
Download InChI
Standard InChI Key GIZKAXHWLRYMLE-UHFFFAOYSA-M

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL490129

Molecule Features

CHEMBL490129 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unknown

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 CHEMBL490129. 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
CHEMBL4225 Dual specificity protein kinase CLK2 Homo sapiens 0.889
CHEMBL4481 Nitric oxide synthase, inducible Homo sapiens 0.627
CHEMBL1075280 Dual specificity protein kinase CLK1 Mus musculus 0.372
CHEMBL4224 Dual specificty protein kinase CLK1 Homo sapiens 0.353
CHEMBL240 HERG Homo sapiens 0.333
CHEMBL1781 DNA topoisomerase I Homo sapiens 0.224



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4226 Dual specificity protein kinase CLK3 Homo sapiens 0.920
CHEMBL4225 Dual specificity protein kinase CLK2 Homo sapiens 0.849
CHEMBL1781 DNA topoisomerase I Homo sapiens 0.834
CHEMBL5077 Butyrylcholinesterase Equus caballus 0.786
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 0.737
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.410

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
332.3 332.0917 3.43 0 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
- - -.65 -.65 4 25 0.37

Structural Alerts

There are 6 structural alerts for CHEMBL490129. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GIZKAXHWLRYMLE-UHFFFAOYSA-M
PubChem SID: 124891687 SID: 50107012

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL490129



ACToR 5578-73-4
eMolecules 531405
FDA SRS B8Z8J4400H
MolPort MolPort-003-939-254
PubChem 68635
PubChem: Thomson Pharma 14852883
SureChEMBL SCHEMBL43290

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