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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL486179
CHEMBL486179
Compound Name PROTOPINE
ChEMBL Synonyms Protopine
Max Phase 0
Trade Names
Molecular Formula C20H19NO5

Additional synonyms for CHEMBL486179 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCc2cc3OCOc3cc2C(=O)Cc4cc5OCOc5cc4C1
Standard InChI InChI=1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12) ...
Download InChI
Standard InChI Key ZAALQOFZFANFTF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL486179

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
353.4 353.1263 2.95 0 57.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.88 3.15 2.55 2 26 0.73

Structural Alerts

There are 1 structural alerts for CHEMBL486179. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZAALQOFZFANFTF-UHFFFAOYSA-N
Wikipedia Protopine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL486179



ACToR 24240-05-9
BindingDB 50377937
EPA CompTox Dashboard DTXSID00178935
Mcule MCULE-2865552640
MolPort MolPort-028-610-216
Nikkaji J1.524.280I
PubChem 185559
ZINC ZINC000031502517

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