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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL466246
CHEMBL466246
Compound Name LANINAMIVIR
ChEMBL Synonyms R-125489
Max Phase 0
Trade Names
Molecular Formula C13H22N4O7

Additional synonyms for CHEMBL466246 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(=N)N)[C@H]1NC(=O)C)C ...
Download SMILES
Standard InChI InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22) ...
Download InChI
Standard InChI Key QNRRHYPPQFELSF-CNYIRLTGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL466246

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
346.3 346.1488 -2.99 8 187.21 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 7 1 11 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.81 11.26 -1.07 -3.57 0 24 0.18

Structural Alerts

There are 5 structural alerts for CHEMBL466246. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QNRRHYPPQFELSF-CNYIRLTGSA-N
Wikipedia Laninamivir

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL466246



ACToR 203120-17-6
BindingDB 50009296
Brenda 197466
DrugBank DB12791
eMolecules 36758674
FDA SRS B408IW3GL5
IBM Patent System AFBC9B0590AC759597A5E22102F44846
Nikkaji J1.767.223A
PDBe LNV
PubChem 502272
PubChem: Drugs of the Future 99431547
PubChem: Thomson Pharma 15026399
SureChEMBL SCHEMBL12284832
ZINC ZINC000003985629

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