LANINAMIVIR OCTANOATE

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Synonyms
Status
Molecule Category UNKNOWN
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

Bioactivity

Mechanism of Action Action Reference
Neuraminidase inhibitor INHIBITOR Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 39-1170 - - -
Enzyme
- 39-1170 - - -
Assay Description Organism Bioactivity Reference
Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus (A/Puerto Rico/8/1934(H1N1)) 931.0 nM
Inhibition of Influenza A virus (A/Yamagata/32/1989(H1N1)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus (A/Yamagata/32/1989(H1N1)) 882.0 nM
Inhibition of Influenza A virus (A/New Caledonia/20/1999(H1N1)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus (A/New Caledonia/20/1999(H1N1)) 666.0 nM
Inhibition of Influenza A virus (A/Shiga/1/2002(H1N1)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 733.0 nM
Inhibition of Influenza A virus (A/Yamagata/3/2002(H1N1)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 709.0 nM
Inhibition of Influenza A virus (A/Saitama/78/2003(H1N1)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 940.0 nM
Inhibition of Influenza A virus (A/Aichi/193/2004(H1N1)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 983.0 nM
Inhibition of Influenza A virus (A/Okinawa/42/2004(H1N1)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 631.0 nM
Inhibition of Influenza A virus (A/Aichi/169/2005(H1N1)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 664.0 nM
Inhibition of Influenza A virus (A/Yamagata/83/2006(H1N1)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 733.0 nM
Inhibition of Influenza A virus (A/Singapore/1/1957(H2N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 128.0 nM
Inhibition of Influenza A virus (A/Aichi/2/1968(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 164.0 nM
Inhibition of Influenza A virus (A/Kitakyushu/159/1993(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 221.0 nM
Inhibition of Influenza A virus (A/Wyoming/03/2003(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 114.0 nM
Inhibition of Influenza A virus (A/Wellington/1/2004(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 157.0 nM
Inhibition of Influenza A virus (A/California/07/2004(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 135.0 nM
Inhibition of Influenza A virus (A/New York/55/2004(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 136.0 nM
Inhibition of Influenza A virus (A/Hiroshima/52/2005(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 69.1 nM
Inhibition of Influenza A virus (A/Wisconsin/67/2005(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus (A/Wisconsin/67/2005(H3N2)) 187.0 nM
Inhibition of Influenza A virus (A/Shiga/5/2002(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 64.2 nM
Inhibition of Influenza A virus (A/Yamagata/1/2002(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 56.6 nM
Inhibition of Influenza A virus (A/Yamagata/2/2002(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 46.6 nM
Inhibition of Influenza A virus (A/Saitama/80/2003(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 39.2 nM
Inhibition of Influenza A virus (A/Osaka/56/2004(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 129.0 nM
Inhibition of Influenza A virus (A/Tokushima/1/2005(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 131.0 nM
Inhibition of Influenza A virus (A/Saitama/07/2006(H3N2)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 63.3 nM
Inhibition of Influenza A virus (A/R(duck/Mongolia/54/01-duck/Mongolia/47/01)(H5H1)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 276.0 nM
Inhibition of Influenza A virus (A/duck/Hokkaido/84/2002(H5N3)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 456.0 nM
Inhibition of Influenza A virus (A/turkey/Ontario/6,118/1968(H8N4)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 420.0 nM
Inhibition of Influenza A virus (A/duck/England/1/1956(H11N6)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 262.0 nM
Inhibition of Influenza A virus (A/seal/Massachusetts/1/1980(H7N7)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 142.0 nM
Inhibition of Influenza A virus (A/duck/Memphis/546/1974(H11N9)) neuraminidase after 30 mins by fluorescence analysis Influenza A virus 356.0 nM

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
CONTENTS