General Information of the Compound
Compound ID |
CP0036725
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Compound Name |
Oseltamivir
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Synonyms |
Agucort
Agucort (TN)
GS 4104
GS-4104
GS4104
OTV
Oseltamivir
Oseltamivir (INN)
Oseltamivir [INN:BAN]
Oseltamivirum
Ro-64-0796
Ro-640796
Tamiflu (*Phosphate salt 1:1*)
Tamiflu (TN)
Tamiflu-Free
Tamvir
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Structure |
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Formula |
C16H28N2O4
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Molecular Weight |
312.41
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Canonical SMILES |
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
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InChI |
InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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InChIKey |
VSZGPKBBMSAYNT-RRFJBIMHSA-N
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CAS |
196618-13-0
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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DrugBank ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02186, Liver carboxylesterase 1
Protein ID: PT01603, Neuraminidase
Protein ID: PT00018, Neuraminidase
Cell-based Assay
Cell Line ID | Cell Line Name | Cell Line Organism | |
CL000025 | HEK-293T | Homo sapiens (Human) | 2 |
1 |
IC50 = 12290 nM
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TI
LI
LO
TS
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2 |
IC50 = 51540 nM
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TI
LI
LO
TS
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Biochemical Assays
Clinical Information about the Compound
Drug 1 ( Oseltamivir )
Drug Name | Oseltamivir | ||
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Company | Hoffmann-La Roche pharmaceutical company | ||
Indication | |||
Target(s) |
Influenza Neuraminidase (Influ NA)
Inhibitor
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