ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:QNRRHYPPQFELSF-CNYIRLTGSA-N
Wikipedia Laninamivir

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL466246



ACToR 203120-17-6
BindinDB 50009296
eMolecules 36758674
FDA SRS B408IW3GL5
IBM Patent System AFBC9B0590AC759597A5E22102F44846
IBM Patents WO2010111640A2 WO2010112936A1 US20100113373 WO2010053833A1 WO2010146585A1 US20100204314
Nikkaji J1.767.223A
PDBe LNV
PubChem 502272
PubChem: Drugs of the Future 99431547
PubChem: Thomson Pharma 15026399
SureChEMBL SCHEMBL12284832
ZINC ZINC29559740 ZINC03985629

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