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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL400092
CHEMBL400092
Compound Name LYCORINE
ChEMBL Synonyms GNF-Pf-4974
Max Phase 0
Trade Names
Molecular Formula C16H17NO4

Additional synonyms for CHEMBL400092 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@H]([C@@H]1O)[C@@H]23
Standard InChI InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12) ...
Download InChI
Standard InChI Key XGVJWXAYKUHDOO-DANNLKNASA-N

Sources

  • Novartis Malaria Screening
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL400092

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
287.3 287.1158 0.71 0 62.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.55 6.34 1.96 1.89 1 21 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL400092. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XGVJWXAYKUHDOO-DANNLKNASA-N
PubChem SID: 26756786 SID: 472303
Wikipedia Lycorine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL400092



ACToR 476-28-8
BindingDB 50221066
ChEBI 6601
eMolecules 591348 30487840
EPA CompTox Dashboard DTXSID60197208
FDA SRS I9Q105R5BU
IBM Patent System 164545A97A52BC6D516F9A3593BE7023
KEGG Ligand C08532
Mcule MCULE-4471227410
Metabolights MTBLC6601
MolPort MolPort-000-882-129
Nikkaji J5.973K
PDBe 3KD
PubChem 72378
PubChem: Thomson Pharma 15418602
SureChEMBL SCHEMBL626071
ZINC ZINC000003881372

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