OSELTAMIVIR PHOSPHATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 4A3O49NGEZ
EPA CompTox DTXSID0044230
Parent Compound: OSELTAMIVIR

Structure

InChI Key PGZUMBJQJWIWGJ-ONAKXNSWSA-N
Smiles CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O
InChI
InChI=1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H31N2O8P
Molecular Weight 410.4
AlogP 1.29
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 90.65
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Neuraminidase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 800 - 860 100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Influenza A virus
- - - - 86.5
Influenza A virus (A/RI/5+/1957(H2N2))
- 800 - - 100
Influenza A virus (A/WSN/1933(H1N1))
- - - - 78
influenza A virus
340-390 - - 860 -

Cross References

Resources Reference
ChEBI 7799
ChEMBL CHEMBL1200340
FDA SRS 4A3O49NGEZ
KEGG C08093
PubChem 78000
SureChEMBL SCHEMBL8730
ZINC ZINC03929508
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