OSELTAMIVIR

Search structure
Synonyms:
Status: Approved (1999)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
ATC: J05AH02
UNII: 20O93L6F9H

Structure
InChI Key VSZGPKBBMSAYNT-RRFJBIMHSA-N
Smile CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H28N2O4
Molecular Weight 312.41
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 0.06-800018.44 - 0.1-0.9 17-100
Enzyme Transferase
- - - - 11.4-12.43
Enzyme
- 0.06-800018.44 - 0.1-0.9 17-100
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -14.7--7.83
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 1300000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Purpura, Thrombocytopenic, Idiopathic 3 D016553 ClinicalTrials
Influenza, Human 3 D007251 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Pneumonia 3 D011014 ClinicalTrials
Thrombocytopenia 2 D013921 ClinicalTrials
Infections 2 D007239 ClinicalTrials
Influenza in Birds 2 D005585 ClinicalTrials
Renal Insufficiency, Chronic 1 D051436 ClinicalTrials
Obesity 1 D009765 ClinicalTrials

Related Entries

Parent

Cross References

Resources Reference
CAS NUMBER 196618-13-0
ChEBI 7798
ChEMBL CHEMBL1229
DrugBank DB00198
DrugCentral 2001
EPA CompTox DTXSID9044291
FDA SRS 20O93L6F9H
Human Metabolome Database HMDB14343
KEGG C08092
PharmGKB PA450721
PubChem 65028
SureChEMBL SCHEMBL32035
ZINC ZINC000003929508
CONTENTS