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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL362071
CHEMBL362071
Compound Name COPTISINE
ChEMBL Synonyms Coptisine Picrate | Coptisine Chloride | Coptisine
Max Phase 0
Trade Names
Molecular Formula C19H14NO4

Additional synonyms for CHEMBL362071 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4c3cc2O1
Standard InChI InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-1 ...
Download InChI
Standard InChI Key XYHOBCMEDLZUMP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL362071

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
320.3 320.0923 3.76 0 40.79 -


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
- - -.2 -.2 3 24 0.59

Structural Alerts

There are 2 structural alerts for CHEMBL362071. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XYHOBCMEDLZUMP-UHFFFAOYSA-N
Wikipedia Coptisine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL362071



ACToR 3486-66-6
BindingDB 50030257
ChEBI 67862
EPA CompTox Dashboard DTXSID10188404
FDA SRS 0GCL71VN14
IBM Patent System 81A8579D94EE06C3C35B4AEA63133388
KEGG Ligand C16938
Metabolights MTBLC67862
MolPort MolPort-020-005-796
Nikkaji J8.657F
PDBe KPT
PharmGKB PA166153416
PubChem 72322
PubChem: Thomson Pharma 15420800
SureChEMBL SCHEMBL156866
ZINC ZINC000001709414

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