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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL477708
CHEMBL477708
Compound Name EUPOLAURIDINE
ChEMBL Synonyms Eupolauridine
Max Phase 0
Trade Names
Molecular Formula C14H8N2

Additional synonyms for CHEMBL477708 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2c(c1)c3nccc4ccnc2c34
Standard InChI InChI=1S/C14H8N2/c1-2-4-11-10(3-1)13-12-9(5-7-15-13)6-8-16-1 ...
Download InChI
Standard InChI Key KIVUUVOREYMMFE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL477708

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
204.2 204.0687 3.28 0 25.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4 2.97 - 3 16 0.44

Structural Alerts

There are no structural alerts for CHEMBL477708

Compound Cross References

ChemSpider ChemSpider:KIVUUVOREYMMFE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL477708



ACToR 58786-39-3
BindingDB 50202838
ChEBI 67605
Human Metabolome Database HMDB0030182
IBM Patent System CAFE7A25E240EC520FCADD7D8298CB68
Metabolights MTBLC67605
Nikkaji J13.838J
PubChem 72486
PubChem: Thomson Pharma 14969038
SureChEMBL SCHEMBL3125284

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