LANINAMIVIR OCTANOATE

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Synonyms
Status
Molecule Category Free-form
UNII E026V904RL

Structure

InChI Key UKTIJASCFRNWCB-RMIBSVFLSA-N
Smiles CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O
InChI
InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H36N4O8
Molecular Weight 472.54
AlogP -0.01
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 14.0
Polar Surface Area 193.29
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Neuraminidase inhibitor INHIBITOR Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 39.2-983 - - -
Enzyme
- 39.2-983 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Influenza A virus
- 39.2-983 - - -
Influenza A virus (A/New Caledonia/20/1999(H1N1))
- 666 - - -
Influenza A virus (A/Puerto Rico/8/1934(H1N1))
- 931 - - -
Influenza A virus (A/Wisconsin/67/2005(H3N2))
- 187 - - -
Influenza A virus (A/Yamagata/32/1989(H1N1))
- 882 - - -

Related Entries

Cross References

Resources Reference
ChEBI 134741
ChEMBL CHEMBL467058
DrugBank DB11888
DrugCentral 4822
FDA SRS E026V904RL
PDB LVO
PubChem 9847629
SureChEMBL SCHEMBL11024932
ZINC ZINC000014175798
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