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Drug Details

General Information of the Drug (ID: DR7956)
Name
Oseltamivir
Synonyms
oseltamivir; 196618-13-0; Tamvir; Tamiflu-Free; GS-4104; (-)-oseltamivir; GS 4104; GS4104; HSDB 7433; UNII-20O93L6F9H; Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate; GOP-A-Flu; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate; Ro-640796; Ro-64-0796; CHEBI:7798; 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))-; 20O93L6F9H; (3R,4R,5S)-Ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate; Ro 640796; ebilfumin; Oseltamivir [INN:BAN]; oseltamivirum; Agucort; ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate; Agucort (TN); Oseltamivir (INN); Tamiflu (*Phosphate salt 1:1*); SR-05000001499; oseltamivir-phosphate; CHEMBL1229; SCHEMBL32035; BIDD:GT0426; BDBM5025; GS-4071 ETHYL ESTER; DTXSID9044291; GTPL11427; HMS2090C11; EX-A3415; ZINC3929508; CO0039; AKOS015843442; AKOS015960501; CS-0552; DB00198; DT-0013; MCULE-1441617774; (3R,5S)-ETHYL 4-ACETAMIDO-5-AMINO-3-(PENTAN-3-YLOXY)CYCLOHEX-1-ENECARBOXYLATE; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-cyclohexene-1-carboxylate; Ethyl (5S,3R,4R)-4-(acetylamino)-5-amino-3-(ethylpropoxy)cyclohex-1-enecarboxylate; NCGC00095191-12; NCGC00178698-01; NCGC00178698-02; NCGC00178698-04; 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-; HY-13317; RO640796; Oseltamivir 100 microg/mL in Acetonitrile; RO64-0796; C08092; D08306; W-5250; AB00173476-02; AB00173476_04; 618O130; AR-270/43507961; Q211509; SR-05000001499-1; BRD-K76011241-045-01-5; (3R,5S)-ethyl4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate; Ethyl (3R, 4R, 5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate; ethyl 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate; (3r,4r,5s)-4-acetylamino-5-amino-3(1-ethylpropoxy) -1-cyclohexene-1-carboxylic acid ethyl ester; (3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid ethyl ester; (3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)cyclohex-1-enecarboxylic acid ethyl ester
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Molecular Type
Small molecule
Disease Influenza [ICD-11: 1E30] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C16H28N2O4
PubChem CID
65028
Canonical SMILES
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC
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
InChIKey
VSZGPKBBMSAYNT-RRFJBIMHSA-N
CAS Number
CAS 196618-13-0
ChEBI ID
CHEBI:7798
TTD Drug ID
D0O5NK
DrugBank ID
DB00198
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Methylglyoxal      Saccharomyces cerevisiae     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vitro Model MDCK CVCL_0422 Healthy Canis lupus familiaris
                    Experimental
                    Result(s)
MGO has potent inhibitory activity against influenza viruses and also enhanced the effect of NA inhibitors.
Target and Pathway
Target(s) Influenza Neuraminidase (Influ NA)  Molecule Info  [3]
KEGG Pathway Other glycan degradation Click to Show/Hide
References
Reference 1 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
Reference 2 In vitro evaluation of synergistic inhibitory effects of neuraminidase inhibitors and methylglyoxal against influenza virus infection. Arch Med Res. 2015 Jan;46(1):8-16.
Reference 3 Current and future antiviral therapy of severe seasonal and avian influenza. Antiviral Res. 2008 Apr;78(1):91-102.
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Cite NPCDR
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Correspondence

X. N. Sun, Y. T. Zhang, Y. Zhou, X. C. Lian, L. L. Yan, T. Pan, T. Jin, H. Xie, Z. M. Liang, W. Q. Qiu, J. X. Wang, Z. R. Li, F. Zhu*, X. B. Sui*. NPCDR: natural product-based drug combination and its disease-specific molecular regulation. Nucleic Acids Research. 50(D1): 1324-1333 (2020). PMID: 34664659

Prof. Feng ZHU  (zhufeng@zju.edu.cn)

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, China


Prof. Xinbing SUI  (hzzju@hznu.edu.cn)

School of Pharmacy and Department of Medical Oncology, the Affiliated Hospital of Hangzhou Normal University, Hangzhou Normal University, Hangzhou, China