OSELTAMIVIR PHOSPHATE

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Trade Names:
Synonyms:
Status: Approved (1999)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
UNII: 4A3O49NGEZ
Parent Compound: OSELTAMIVIR

Structure
InChI Key PGZUMBJQJWIWGJ-ONAKXNSWSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Neuraminidase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 800 - 860 100
Enzyme Transferase
- - - - 0.5153
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC15 family of peptide transporters
- 10700000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Virus Diseases 2 D014777 ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
13.66
General disorders and administration site conditions
12.66
Psychiatric disorders
12.45
Nervous system disorders
11.29
Respiratory, thoracic and mediastinal disorders
8.45
Skin and subcutaneous tissue disorders
5.71
Injury, poisoning and procedural complications
5.59
Infections and infestations
4.7
Cardiac disorders
3.79
Vascular disorders
3.49
Investigations
3.04
Musculoskeletal and connective tissue disorders
2.82
Immune system disorders
2.58

Cross References

Resources Reference
ChEBI 7799
ChEMBL CHEMBL1200340
EPA CompTox DTXSID0044230
FDA SRS 4A3O49NGEZ
KEGG C08093
PubChem 78000
SureChEMBL SCHEMBL8730
ZINC ZINC03929508
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